3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide

C15H30N2O — CID 79878870

IUPAC3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)NC1CCCC1(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)8-12(10-16)9-14(18)17-13-6-5-7-15(13,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyOSTUQXOCMWQFBF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds6

About 3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide

3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide (PubChem CID 79878870) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide
PubChem CID79878870
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)NC1CCCC1(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)8-12(10-16)9-14(18)17-13-6-5-7-15(13,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyOSTUQXOCMWQFBF-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide
CID 79878962
(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide
CID 79362527
1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111841147
2-amino-N-(2,2-dimethylcyclohexyl)-4-methylpentanamide
CID 79878464
N-(2,2-dimethylcyclopentyl)-3-piperidin-4-ylbutanamide
CID 119790559
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
CID 120562889
5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 79878603
3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one
CID 116577015
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)pentanamide
CID 79870952

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide (CID 79878870) is 3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide is CC(C)CC(CN)CC(=O)NC1CCCC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide?
The InChIKey is OSTUQXOCMWQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(2)8-12(10-16)9-14(18)17-13-6-5-7-15(13,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide?
3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide is sourced from PubChem (CID 79878870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).