1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane

C16H32N2 — CID 64942540

IUPAC1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CC1CN(C2CCC(C)CC2)CCCN1
InChIInChI=1S/C16H32N2/c1-13(2)11-15-12-18(10-4-9-17-15)16-7-5-14(3)6-8-16/h13-17H,4-12H2,1-3H3
InChIKeyQFPAYKFMKPTQGZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane

1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane (PubChem CID 64942540) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
PubChem CID64942540
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CC1CN(C2CCC(C)CC2)CCCN1
InChIInChI=1S/C16H32N2/c1-13(2)11-15-12-18(10-4-9-17-15)16-7-5-14(3)6-8-16/h13-17H,4-12H2,1-3H3
InChIKeyQFPAYKFMKPTQGZ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2-methylpropyl)piperazine
CID 64924419
1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944792
3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane
CID 114102096
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 114506173
3-[3-(2-methylpropyl)-1,4-diazepan-1-yl]-1-azabicyclo[2.2.2]octane
CID 64944670
1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane
CID 64950940
1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64943811
1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine
CID 64924428
3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
CID 64944435
1-(1-cyclopentylethyl)-3-(2-methylpropyl)piperazine
CID 64953833
1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine
CID 64926832
4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550969

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane?
The IUPAC name of 1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane (CID 64942540) is 1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane.
What is the SMILES notation for 1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane?
The canonical SMILES for 1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane is CC(C)CC1CN(C2CCC(C)CC2)CCCN1.
What is the InChIKey of 1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane?
The InChIKey is QFPAYKFMKPTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)11-15-12-18(10-4-9-17-15)16-7-5-14(3)6-8-16/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane?
1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane has a molecular weight of 252.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane is sourced from PubChem (CID 64942540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).