N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide

C16H30N2O2 — CID 119603538

IUPACN-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide
SMILESCCC(OC1CCCCC1)C(=O)NC1CCCC1CN
InChIInChI=1S/C16H30N2O2/c1-2-15(20-13-8-4-3-5-9-13)16(19)18-14-10-6-7-12(14)11-17/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyPFIHSTOJHKTLEY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide

N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide (PubChem CID 119603538) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide
PubChem CID119603538
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide
SMILESCCC(OC1CCCCC1)C(=O)NC1CCCC1CN
InChIInChI=1S/C16H30N2O2/c1-2-15(20-13-8-4-3-5-9-13)16(19)18-14-10-6-7-12(14)11-17/h12-15H,2-11,17H2,1H3,(H,18,19)
InChIKeyPFIHSTOJHKTLEY-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-(2-amino-1-cyclopropylethyl)-2-cyclohexyloxybutanamide
CID 119615946
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-[2-(aminomethyl)cyclopentyl]-2-(2-fluorophenoxy)butanamide
CID 119605380
2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120557800
N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119603444
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338
N-(2-adamantyl)-2-cyclopentyloxybutanamide
CID 91642709
2-cyclohexyloxy-N-piperidin-1-ylbutanamide
CID 102560917
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
CID 116658641

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide (CID 119603538) is N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide is CCC(OC1CCCCC1)C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide?
The InChIKey is PFIHSTOJHKTLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-15(20-13-8-4-3-5-9-13)16(19)18-14-10-6-7-12(14)11-17/h12-15H,2-11,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide?
N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide has a molecular weight of 282.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-cyclohexyloxybutanamide is sourced from PubChem (CID 119603538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).