[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine

C14H28N2 — CID 79856298

IUPAC[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine
SMILESCC1(C)CCCC1(CN)N1CCCCCC1
InChIInChI=1S/C14H28N2/c1-13(2)8-7-9-14(13,12-15)16-10-5-3-4-6-11-16/h3-12,15H2,1-2H3
InChIKeyNPEDUURWEASOSX-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds2

About [1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine

[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine (PubChem CID 79856298) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine
PubChem CID79856298
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine
SMILESCC1(C)CCCC1(CN)N1CCCCCC1
InChIInChI=1S/C14H28N2/c1-13(2)8-7-9-14(13,12-15)16-10-5-3-4-6-11-16/h3-12,15H2,1-2H3
InChIKeyNPEDUURWEASOSX-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 79834604
[1-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79858011
[2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857355
[1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylcyclopentyl]methanamine
CID 79857920
[2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857129
ethyl 2-[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]acetate
CID 79862178
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79857357
[2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine
CID 79847388
[1-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847121
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 79847823
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847299
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79848006

Frequently Asked Questions

What is the IUPAC name of [1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine?
The IUPAC name of [1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine (CID 79856298) is [1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine?
The canonical SMILES for [1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine is CC1(C)CCCC1(CN)N1CCCCCC1.
What is the InChIKey of [1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine?
The InChIKey is NPEDUURWEASOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2)8-7-9-14(13,12-15)16-10-5-3-4-6-11-16/h3-12,15H2,1-2H3.
What are the key properties of [1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine?
[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine is sourced from PubChem (CID 79856298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).