2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide

C13H26N2O2 — CID 113492226

IUPAC2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)C(O)CNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)11(16)9-15-12(17)8-13(14)6-4-3-5-7-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyPHBRKWZPBVZYBL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds5

About 2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide

2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide (PubChem CID 113492226) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide
PubChem CID113492226
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)C(O)CNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)11(16)9-15-12(17)8-13(14)6-4-3-5-7-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyPHBRKWZPBVZYBL-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanepropanamide, N,N'-(2-hydroxy-1,3-propanediyl)bis-
CID 3071719
(2S,3R)-3-Amino-4-cyclohexyl-N-decyl-2-hydroxy-butyramide
CID 44381637
(2S,3R)-3-Amino-4-cyclohexyl-N-((S)-1,2-dimethyl-propyl)-2-hydroxy-butyramide
CID 44381857
4-cyclohexyl-N-(2-hydroxyethyl)butanamide
CID 43389022
n-(2-Hydroxyethyl)cyclohexanecarboxamide
CID 251403
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide
CID 96521446
N-[(2S)-4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 97802672
N-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
CID 102554134
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 134349635
alpha-Butyl-N-(2-hydroxyethyl)cyclohexanebutyramide
CID 24837023
alpha-Ethyl-N-(2-hydroxyethyl)cyclohexanebutyramide
CID 24837028

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide (CID 113492226) is 2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide is CC(C)C(O)CNC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide?
The InChIKey is PHBRKWZPBVZYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)11(16)9-15-12(17)8-13(14)6-4-3-5-7-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide?
2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide is sourced from PubChem (CID 113492226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).