N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide

C13H26N2O — CID 119566665

IUPACN-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide
SMILESCCCC(C)CC(=O)NC1(CN)CCCC1
InChIInChI=1S/C13H26N2O/c1-3-6-11(2)9-12(16)15-13(10-14)7-4-5-8-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyPHCGLVJXNQZVEC-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide

N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide (PubChem CID 119566665) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide
PubChem CID119566665
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide
SMILESCCCC(C)CC(=O)NC1(CN)CCCC1
InChIInChI=1S/C13H26N2O/c1-3-6-11(2)9-12(16)15-13(10-14)7-4-5-8-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyPHCGLVJXNQZVEC-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide
CID 63755495
2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
CID 81080778
2-[4-(3-methylhexanoylamino)oxan-4-yl]acetic acid
CID 119215184
N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyacetamide
CID 112701354
N-[1-(aminomethyl)cyclopentyl]-2-ethylsulfonylacetamide
CID 119566982
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
4-methyl-1-[1-(methylamino)cyclohexyl]heptan-2-one
CID 116575430
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119567956
N-[1-(aminomethyl)cyclopentyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119566219
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 119565580
N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119565114

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide (CID 119566665) is N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide is CCCC(C)CC(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide?
The InChIKey is PHCGLVJXNQZVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-6-11(2)9-12(16)15-13(10-14)7-4-5-8-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide?
N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide is sourced from PubChem (CID 119566665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).