3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane

C17H34N2 — CID 107888744

IUPAC3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane
SMILESCCCC(C)N1CC(C2CCCCC2)NCCC1C
InChIInChI=1S/C17H34N2/c1-4-8-14(2)19-13-17(18-12-11-15(19)3)16-9-6-5-7-10-16/h14-18H,4-13H2,1-3H3
InChIKeyKXHHFIFMZBVONM-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds4

About 3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane

3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane (PubChem CID 107888744) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane
PubChem CID107888744
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane
SMILESCCCC(C)N1CC(C2CCCCC2)NCCC1C
InChIInChI=1S/C17H34N2/c1-4-8-14(2)19-13-17(18-12-11-15(19)3)16-9-6-5-7-10-16/h14-18H,4-13H2,1-3H3
InChIKeyKXHHFIFMZBVONM-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-7-methyl-1-(2-methylpentyl)-1,4-diazepane
CID 64871015
3-cyclohexyl-7-methyl-1-(4-methylpentyl)-1,4-diazepane
CID 83168863
5-cyclohexyl-2-methyl-1-(2-methylpentyl)piperazine
CID 64860363
3-benzyl-7-methyl-1-pentan-2-yl-1,4-diazepane
CID 107888724
2-butan-2-yl-5-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013068
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850447
1-(cyclopentylmethyl)-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870248
3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
CID 64944397
(2R)-2-methyl-1-[(2S)-pentan-2-yl]piperazine
CID 124680628
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
3-cyclohexyl-1-(1-methylsulfonylpropan-2-yl)piperazine
CID 64954449

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane?
The IUPAC name of 3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane (CID 107888744) is 3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane.
What is the SMILES notation for 3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane?
The canonical SMILES for 3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane is CCCC(C)N1CC(C2CCCCC2)NCCC1C.
What is the InChIKey of 3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane?
The InChIKey is KXHHFIFMZBVONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-8-14(2)19-13-17(18-12-11-15(19)3)16-9-6-5-7-10-16/h14-18H,4-13H2,1-3H3.
What are the key properties of 3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane?
3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane has a molecular weight of 266.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane is sourced from PubChem (CID 107888744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).