bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)

C262H592N26 — CID 164980756

IUPACbis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCCN1C(C)C.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN1C(C)C.CC(C)C1CCN1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/2C12H25N.4C11H24N2.6C11H23N.C10H22N2.4C10H21N.4C9H19N.21C2H6/c2*1-10(2)12-6-5-8-13(9-7-12)11(3)4;2*1-9(2)11-8-13(10(3)4)7-6-12(11)5;2*1-9(2)11-8-12(5)6-7-13(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;2*1-7(2)9-5-10(6-9)8(3)4;2*1-7(2)9-5-6-10(9)8(3)4;21*1-2/h2*10-12H,5-9H2,1-4H3;4*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;4*7-9H,5-6H2,1-4H3;21*1-2H3
InChIKeyFLGRPLPLQRSZSL-UHFFFAOYSA-N
MW4107.80 g/mol
LogP70.80
Rot. Bonds42

About bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)

bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) (PubChem CID 164980756) has the molecular formula C262H592N26 and a molecular weight of 4107.80 g/mol. Its IUPAC name is bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine).

Molecular Properties

Compound Namebis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
PubChem CID164980756
Molecular FormulaC262H592N26
Molecular Weight4107.80 g/mol
Exact Mass4104.71
IUPAC Namebis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCCN1C(C)C.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN1C(C)C.CC(C)C1CCN1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/2C12H25N.4C11H24N2.6C11H23N.C10H22N2.4C10H21N.4C9H19N.21C2H6/c2*1-10(2)12-6-5-8-13(9-7-12)11(3)4;2*1-9(2)11-8-13(10(3)4)7-6-12(11)5;2*1-9(2)11-8-12(5)6-7-13(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;2*1-7(2)9-5-10(6-9)8(3)4;2*1-7(2)9-5-6-10(9)8(3)4;21*1-2/h2*10-12H,5-9H2,1-4H3;4*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;4*7-9H,5-6H2,1-4H3;21*1-2H3
InChIKeyFLGRPLPLQRSZSL-UHFFFAOYSA-N
XLogP70.80
TPSA84.24 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds42
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004107.80
LogP ≤ 570.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) with MolForge

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Related Compounds

1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)
CID 164983686
4-methyl-1,2-di(propan-2-yl)piperazine
CID 58964341
1,2,4-tri(propan-2-yl)piperazine
CID 58977477
ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine
CID 160904536
1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)
CID 165065579
1,2-di(propan-2-yl)azocane
CID 134605032
ethane;propan-2-ylcyclohexane;1-propan-2-ylpiperidine
CID 159094239
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
1,2,5-tri(propan-2-yl)azepane
CID 176801550
1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 159641961
1,4-di(propan-2-yl)piperidine
CID 21303253

Frequently Asked Questions

What is the IUPAC name of bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)?
The IUPAC name of bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) (CID 164980756) is bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine).
What is the SMILES notation for bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)?
The canonical SMILES for bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCCN1C(C)C.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN1C(C)C.CC(C)C1CCN1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)?
The InChIKey is FLGRPLPLQRSZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25N.4C11H24N2.6C11H23N.C10H22N2.4C10H21N.4C9H19N.21C2H6/c2*1-10(2)12-6-5-8-13(9-7-12)11(3)4;2*1-9(2)11-8-13(10(3)4)7-6-12(11)5;2*1-9(2)11-8-12(5)6-7-13(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;2*1-7(2)9-5-10(6-9)8(3)4;2*1-7(2)9-5-6-10(9)8(3)4;21*1-2/h2*10-12H,5-9H2,1-4H3;4*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;4*7-9H,5-6H2,1-4H3;21*1-2H3.
What are the key properties of bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)?
bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) has a molecular weight of 4107.80 g/mol, XLogP of 70.80, 42 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) is sourced from PubChem (CID 164980756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).