3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane

C17H32N2 — CID 64950047

IUPAC3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane
SMILESCC1(N2CCCNC(C3CCCCC3)C2)CCCC1
InChIInChI=1S/C17H32N2/c1-17(10-5-6-11-17)19-13-7-12-18-16(14-19)15-8-3-2-4-9-15/h15-16,18H,2-14H2,1H3
InChIKeyOZNBUYQGUMVCHW-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.56
Rot. Bonds2

About 3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane

3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane (PubChem CID 64950047) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane
PubChem CID64950047
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane
SMILESCC1(N2CCCNC(C3CCCCC3)C2)CCCC1
InChIInChI=1S/C17H32N2/c1-17(10-5-6-11-17)19-13-7-12-18-16(14-19)15-8-3-2-4-9-15/h15-16,18H,2-14H2,1H3
InChIKeyOZNBUYQGUMVCHW-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane
CID 64950737
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine
CID 64952444
1-cycloheptyl-3-cyclohexyl-1,4-diazepane
CID 64945306
1-(1-adamantyl)-3-cyclopropyl-1,4-diazepane
CID 64941689
2-(1-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929015
(4aS,7aS)-6-(2,2-dimethylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678939
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
CID 64944397
1-(1-methylcyclooctyl)piperidin-4-ol
CID 67281005
1-(1-methylcyclopentyl)-1,4-diazepane
CID 64686822
7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
CID 143671086
(2S)-2-cyclohexylpiperidine
CID 7016471

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane?
The IUPAC name of 3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane (CID 64950047) is 3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane?
The canonical SMILES for 3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane is CC1(N2CCCNC(C3CCCCC3)C2)CCCC1.
What is the InChIKey of 3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane?
The InChIKey is OZNBUYQGUMVCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-17(10-5-6-11-17)19-13-7-12-18-16(14-19)15-8-3-2-4-9-15/h15-16,18H,2-14H2,1H3.
What are the key properties of 3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane?
3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane has a molecular weight of 264.46 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane is sourced from PubChem (CID 64950047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).