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

C11H22N2 — CID 64686822

IUPAC1-(1-methylcyclopentyl)-1,4-diazepane
SMILESCC1(N2CCCNCC2)CCCC1
InChIInChI=1S/C11H22N2/c1-11(5-2-3-6-11)13-9-4-7-12-8-10-13/h12H,2-10H2,1H3
InChIKeyJJRQTMNLVGVZDO-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.61
Rot. Bonds1

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

1-(1-methylcyclopentyl)-1,4-diazepane (PubChem CID 64686822) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-1,4-diazepane
PubChem CID64686822
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(1-methylcyclopentyl)-1,4-diazepane
SMILESCC1(N2CCCNCC2)CCCC1
InChIInChI=1S/C11H22N2/c1-11(5-2-3-6-11)13-9-4-7-12-8-10-13/h12H,2-10H2,1H3
InChIKeyJJRQTMNLVGVZDO-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane
CID 64686823
9-(1-methylcyclohexyl)-6,9-diazaspiro[4.5]decane
CID 64954342
1-(3-methylpyrrolidin-3-yl)piperidine;dihydrochloride
CID 153353229
[1-(1,4-diazepan-1-yl)-2,2-dimethylcyclopentyl]methanol
CID 79863495
1-methyl-4-(1-methylcycloheptyl)piperazine
CID 71065653
7,7,8a-trimethyl-1,2,3,5,6,8-hexahydroindolizine
CID 152845359
1-(1-propan-2-ylcyclopentyl)piperazine
CID 83818772
4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid
CID 61244103
1-(1,4-diazepan-1-yl)-3,3,5,5-tetramethylcyclohexane-1-carboxamide
CID 115999198
1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane
CID 64950737
1-(1,4-diazepan-1-yl)-2-methylcyclohexane-1-carboxylic acid
CID 54890527
ethyl 1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 54890252

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-1,4-diazepane?
The IUPAC name of 1-(1-methylcyclopentyl)-1,4-diazepane (CID 64686822) is 1-(1-methylcyclopentyl)-1,4-diazepane.
What is the SMILES notation for 1-(1-methylcyclopentyl)-1,4-diazepane?
The canonical SMILES for 1-(1-methylcyclopentyl)-1,4-diazepane is CC1(N2CCCNCC2)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-1,4-diazepane?
The InChIKey is JJRQTMNLVGVZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(5-2-3-6-11)13-9-4-7-12-8-10-13/h12H,2-10H2,1H3.
What are the key properties of 1-(1-methylcyclopentyl)-1,4-diazepane?
1-(1-methylcyclopentyl)-1,4-diazepane has a molecular weight of 182.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-1,4-diazepane is sourced from PubChem (CID 64686822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).