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

C77H161N9 — CID 159773613

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)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
InChIInChI=1S/C12H24N2.2C12H25N.C11H24N2.C11H23N.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;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;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyNGLCRZAPRWHBQX-UHFFFAOYSA-N
MW1213.20 g/mol
LogP17.19
Rot. Bonds14

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)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)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine (PubChem CID 159773613) has the molecular formula C77H161N9 and a molecular weight of 1213.20 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)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)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine
PubChem CID159773613
Molecular FormulaC77H161N9
Molecular Weight1213.20 g/mol
Exact Mass1212.29
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)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
InChIInChI=1S/C12H24N2.2C12H25N.C11H24N2.C11H23N.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;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;8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyNGLCRZAPRWHBQX-UHFFFAOYSA-N
XLogP17.19
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.20
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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)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

2,6-Ditert-butyl-2,6-diazabicyclo[3.2.2]nonane;2,6-ditert-butyl-2,6-diazabicyclo[3.2.1]octane;3,6-ditert-butyl-3,6-diazabicyclo[3.2.1]octane
CID 157530196
(2S)-1,2-dimethyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;(2R)-2,4-dimethyl-1-(2,3,3-trimethylbutan-2-yl)piperazine;(1S,5R)-3-methyl-6-(2,3,3-trimethylbutan-2-yl)-3,6-diazabicyclo[3.2.0]heptane;(1R,5R)-6-methyl-3-(2,3,3-trimethylbutan-2-yl)-3,6-diazabicyclo[3.2.0]heptane;1-methyl-4-(2,3,3-trimethylbutan-2-yl)-1,4-diazepane;1-methyl-4-(2,3,3-trimethylbutan-2-yl)piperazine
CID 157921217
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
1,3-Ditert-butylazetidine;1,2-ditert-butylaziridine;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
CID 160791069
(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
CID 161174106
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
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
2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine
CID 167595611
4-[(3-Tert-butylazetidin-1-yl)methyl]-3-(4-tert-butyl-4-methylpiperidin-1-yl)-1-[5-[3-[(4-tert-butylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2,5-dimethylhexan-2-yl]-3-(1-tert-butylpyrrolidin-3-yl)piperidine
CID 170391936

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)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)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine (CID 159773613) 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)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)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)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.
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)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine?
The InChIKey is NGLCRZAPRWHBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2C12H25N.C11H24N2.C11H23N.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;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;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)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)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine has a molecular weight of 1213.20 g/mol, XLogP of 17.19, 14 rotatable bonds, 0 hydrogen bond donors, and 9 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)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-methyl-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 159773613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).