1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine

C87H183N11 — CID 162266354

IUPAC1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCC(C)(C(C)C)CC1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2.2C12H25N.C11H24N2.C11H23N.C10H22N2.C10H21N.C9H19N/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-10(2)12(5)6-8-13(9-7-12)11(3)4;1-10(2)12-6-5-8-13(9-7-12)11(3)4;1-10(2)12-6-5-7-13(9-8-12)11(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h9-12H,5-8H2,1-4H3;10-11H,6-9H2,1-5H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyZZYNQLMAAOICHW-UHFFFAOYSA-N
MW1383.50 g/mol
LogP18.61
Rot. Bonds16

About 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine

1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine (PubChem CID 162266354) has the molecular formula C87H183N11 and a molecular weight of 1383.50 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine
PubChem CID162266354
Molecular FormulaC87H183N11
Molecular Weight1383.50 g/mol
Exact Mass1382.47
IUPAC Name1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCC(C)(C(C)C)CC1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2.2C12H25N.C11H24N2.C11H23N.C10H22N2.C10H21N.C9H19N/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-10(2)12(5)6-8-13(9-7-12)11(3)4;1-10(2)12-6-5-8-13(9-7-12)11(3)4;1-10(2)12-6-5-7-13(9-8-12)11(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h9-12H,5-8H2,1-4H3;10-11H,6-9H2,1-5H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyZZYNQLMAAOICHW-UHFFFAOYSA-N
XLogP18.61
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001383.50
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine with MolForge

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Related Compounds

1,4-Di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine
CID 159773613
1-(2,2-dimethylpropyl)-N,N-dimethylpiperidin-4-amine;2-(2,2-dimethylpropyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;7-(2,2-dimethylpropyl)-2-methyl-2,7-diazaspiro[3.5]nonane;1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 159885663
8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;(1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 160009181
1,4-Di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
CID 160115786
tris(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;methane;(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane;6-methyl-1,4-di(propan-2-yl)-1,4-diazepane;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);(2S)-1,2,4-tri(propan-2-yl)-1,4-diazepane;(2R)-1,2,4-tri(propan-2-yl)-1,4-diazepane
CID 160451886
6-Methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolidine
CID 163476945
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;bis(2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane);2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperidine;bis((2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane);bis((5S)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane);1-propan-2-yl-4-(1-propan-2-ylazetidin-3-yl)piperazine
CID 163502290
Bis(2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane);bis(3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane);3,7-di(propan-2-yl)-3,7-diazabicyclo[4.1.1]octane
CID 163840375
9,9-Dimethyl-3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane;2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.2]nonane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine
CID 164004543

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine?
The IUPAC name of 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine (CID 162266354) is 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine is CC(C)C1CCCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCC(C)(C(C)C)CC1.CC(C)N1CCCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine?
The InChIKey is ZZYNQLMAAOICHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2C12H25N.C11H24N2.C11H23N.C10H22N2.C10H21N.C9H19N/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-10(2)12(5)6-8-13(9-7-12)11(3)4;1-10(2)12-6-5-8-13(9-7-12)11(3)4;1-10(2)12-6-5-7-13(9-8-12)11(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h9-12H,5-8H2,1-4H3;10-11H,6-9H2,1-5H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine?
1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine has a molecular weight of 1383.50 g/mol, XLogP of 18.61, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 162266354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).