N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide

C13H25NO2 — CID 115362678

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H25NO2/c1-10(2)11(3)12(16)14-8-13(9-15)6-4-5-7-13/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyAWHXRQMNAMAXHM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.95
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide (PubChem CID 115362678) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
PubChem CID115362678
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H25NO2/c1-10(2)11(3)12(16)14-8-13(9-15)6-4-5-7-13/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyAWHXRQMNAMAXHM-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 113293899
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 115362386
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide
CID 115456092
2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 112699726
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 125439624
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966036
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methylpropyl)propanamide
CID 113293813

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide (CID 115362678) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NCC1(CO)CCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide?
The InChIKey is AWHXRQMNAMAXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)11(3)12(16)14-8-13(9-15)6-4-5-7-13/h10-11,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 115362678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).