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

C11H22N2 — CID 64516428

IUPAC1-(3-methylcyclopentyl)-1,4-diazepane
SMILESCC1CCC(N2CCCNCC2)C1
InChIInChI=1S/C11H22N2/c1-10-3-4-11(9-10)13-7-2-5-12-6-8-13/h10-12H,2-9H2,1H3
InChIKeyLRBHUYCNIDZSGW-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds1

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

1-(3-methylcyclopentyl)-1,4-diazepane (PubChem CID 64516428) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-1,4-diazepane
PubChem CID64516428
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(3-methylcyclopentyl)-1,4-diazepane
SMILESCC1CCC(N2CCCNCC2)C1
InChIInChI=1S/C11H22N2/c1-10-3-4-11(9-10)13-7-2-5-12-6-8-13/h10-12H,2-9H2,1H3
InChIKeyLRBHUYCNIDZSGW-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550960
3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane;trihydrochloride
CID 70298410
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967
1-piperidin-4-yl-1,4-diazepane
CID 53414008
4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550969
1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine
CID 95913076
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
CID 83670813
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 142534546
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
1-[3-(trifluoromethyl)cyclohexyl]-1,4-diazepane
CID 64759654
1-cyclopentylpiperazine;ethane
CID 143559542

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-1,4-diazepane?
The IUPAC name of 1-(3-methylcyclopentyl)-1,4-diazepane (CID 64516428) is 1-(3-methylcyclopentyl)-1,4-diazepane.
What is the SMILES notation for 1-(3-methylcyclopentyl)-1,4-diazepane?
The canonical SMILES for 1-(3-methylcyclopentyl)-1,4-diazepane is CC1CCC(N2CCCNCC2)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-1,4-diazepane?
The InChIKey is LRBHUYCNIDZSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-3-4-11(9-10)13-7-2-5-12-6-8-13/h10-12H,2-9H2,1H3.
What are the key properties of 1-(3-methylcyclopentyl)-1,4-diazepane?
1-(3-methylcyclopentyl)-1,4-diazepane has a molecular weight of 182.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-1,4-diazepane is sourced from PubChem (CID 64516428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).