2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide

C13H26N2O2 — CID 113293899

IUPAC2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)11(7-14)12(17)15-8-13(9-16)5-3-4-6-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyJOCHTJVWKXGCPS-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.89
Rot. Bonds6

About 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide

2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide (PubChem CID 113293899) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
PubChem CID113293899
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)11(7-14)12(17)15-8-13(9-16)5-3-4-6-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyJOCHTJVWKXGCPS-UHFFFAOYSA-N
XLogP0.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 115362386
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide
CID 115454930
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
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966036
3-amino-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-oxobutanoic acid
CID 103966705
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide (CID 113293899) is 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide is CC(C)C(CN)C(=O)NCC1(CO)CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
The InChIKey is JOCHTJVWKXGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)11(7-14)12(17)15-8-13(9-16)5-3-4-6-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 113293899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).