[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine

C12H25N3 — CID 43293580

IUPAC[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine
SMILESCN1CCCN(C2CCCC2CN)CC1
InChIInChI=1S/C12H25N3/c1-14-6-3-7-15(9-8-14)12-5-2-4-11(12)10-13/h11-12H,2-10,13H2,1H3
InChIKeyUFPKSSXQTUZECY-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.75
Rot. Bonds2

About [2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine

[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine (PubChem CID 43293580) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is [2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine
PubChem CID43293580
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine
SMILESCN1CCCN(C2CCCC2CN)CC1
InChIInChI=1S/C12H25N3/c1-14-6-3-7-15(9-8-14)12-5-2-4-11(12)10-13/h11-12H,2-10,13H2,1H3
InChIKeyUFPKSSXQTUZECY-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(azepan-1-yl)cyclopentyl]methanamine
CID 43293383
[2-(4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 43293313
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 129361363
(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine
CID 82412641
[2-[3-(methoxymethyl)piperidin-1-yl]cyclopentyl]methanamine
CID 106586143
[2-(4-phenylpiperazin-1-yl)cyclopentyl]methanamine
CID 43293527
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088
[2-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 55158006
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine
CID 43530847
[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
CID 164661715

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine?
The IUPAC name of [2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine (CID 43293580) is [2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine is CN1CCCN(C2CCCC2CN)CC1.
What is the InChIKey of [2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine?
The InChIKey is UFPKSSXQTUZECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-6-3-7-15(9-8-14)12-5-2-4-11(12)10-13/h11-12H,2-10,13H2,1H3.
What are the key properties of [2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine?
[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine has a molecular weight of 211.35 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 43293580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).