3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide

C13H26N2O2 — CID 114178708

IUPAC3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)C(N)CC(=O)NC1CCCC1CO
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11(14)7-12(17)15-10-6-4-5-9(10)8-16/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyNFBHXDZRQJHABN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds4

About 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide

3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide (PubChem CID 114178708) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide
PubChem CID114178708
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)C(N)CC(=O)NC1CCCC1CO
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11(14)7-12(17)15-10-6-4-5-9(10)8-16/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyNFBHXDZRQJHABN-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide
CID 106361550
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860522
(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
2-methylpropyl N-[2-(hydroxymethyl)cyclopentyl]carbamate
CID 106364581
2-amino-2-cyclopropyl-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103821178
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide
CID 113340476
2-amino-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 103796946
N-[2-(hydroxymethyl)cyclopentyl]-2-(prop-2-ynylamino)acetamide
CID 106361263

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide?
The IUPAC name of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide (CID 114178708) is 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide?
The canonical SMILES for 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide is CC(C)(C)C(N)CC(=O)NC1CCCC1CO.
What is the InChIKey of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide?
The InChIKey is NFBHXDZRQJHABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)11(14)7-12(17)15-10-6-4-5-9(10)8-16/h9-11,16H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide?
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 114178708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).