3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane

C17H34N2 — CID 64944397

IUPAC3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
SMILESCCC(C)C(C)N1CCCNC(C2CCCCC2)C1
InChIInChI=1S/C17H34N2/c1-4-14(2)15(3)19-12-8-11-18-17(13-19)16-9-6-5-7-10-16/h14-18H,4-13H2,1-3H3
InChIKeySCJMSPVHOXCOED-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds4

About 3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane

3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane (PubChem CID 64944397) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
PubChem CID64944397
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
SMILESCCC(C)C(C)N1CCCNC(C2CCCCC2)C1
InChIInChI=1S/C17H34N2/c1-4-14(2)15(3)19-12-8-11-18-17(13-19)16-9-6-5-7-10-16/h14-18H,4-13H2,1-3H3
InChIKeySCJMSPVHOXCOED-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(3-methylpentan-2-yl)-1,4-diazepane
CID 64943810
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64943811
3-cyclopropyl-1-hexan-2-yl-1,4-diazepane
CID 64950354
3-cyclohexyl-1-(1-thiophen-2-ylpropyl)-1,4-diazepane
CID 64942493
3-cyclopropyl-1-heptan-2-yl-1,4-diazepane
CID 64945390
3-cyclopropyl-1-(2-methylbutyl)-1,4-diazepane
CID 64871916
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane
CID 64951403
3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane
CID 64944577
3-cyclohexyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane
CID 64872103
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
3-cyclohexyl-1-(2-methyl-3-methylsulfanylpropyl)-1,4-diazepane
CID 64950416

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane?
The IUPAC name of 3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane (CID 64944397) is 3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane.
What is the SMILES notation for 3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane?
The canonical SMILES for 3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane is CCC(C)C(C)N1CCCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane?
The InChIKey is SCJMSPVHOXCOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-14(2)15(3)19-12-8-11-18-17(13-19)16-9-6-5-7-10-16/h14-18H,4-13H2,1-3H3.
What are the key properties of 3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane?
3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane has a molecular weight of 266.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane is sourced from PubChem (CID 64944397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).