2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide

C13H26N2O2 — CID 106361554

IUPAC2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCCCC1CO
InChIInChI=1S/C13H26N2O2/c1-3-9(2)12(14)13(17)15-11-7-5-4-6-10(11)8-16/h9-12,16H,3-8,14H2,1-2H3,(H,15,17)
InChIKeyZDTRLEOPJZWGIU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds5

About 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide

2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide (PubChem CID 106361554) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
PubChem CID106361554
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCCCC1CO
InChIInChI=1S/C13H26N2O2/c1-3-9(2)12(14)13(17)15-11-7-5-4-6-10(11)8-16/h9-12,16H,3-8,14H2,1-2H3,(H,15,17)
InChIKeyZDTRLEOPJZWGIU-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
(2S,3S)-2-amino-3-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281460
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
CID 61174579
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359886
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
2-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 114178728
2-amino-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 103796946
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
CID 103798336

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide (CID 106361554) is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NC1CCCCC1CO.
What is the InChIKey of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide?
The InChIKey is ZDTRLEOPJZWGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-9(2)12(14)13(17)15-11-7-5-4-6-10(11)8-16/h9-12,16H,3-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide?
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide is sourced from PubChem (CID 106361554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).