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

C12H24N2O2 — CID 106361456

IUPAC2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC1CCCCC1CO
InChIInChI=1S/C12H24N2O2/c1-8(2)11(13)12(16)14-10-6-4-3-5-9(10)7-15/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)
InChIKeyVYSXSUPSGFFVRL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds4

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

2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide (PubChem CID 106361456) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
PubChem CID106361456
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC1CCCCC1CO
InChIInChI=1S/C12H24N2O2/c1-8(2)11(13)12(16)14-10-6-4-3-5-9(10)7-15/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)
InChIKeyVYSXSUPSGFFVRL-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
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
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 106361554
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
CID 103798336
2-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 114178728
2-amino-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 103796946
2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359886
2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 103951115
(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide
CID 103796865

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide (CID 106361456) is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide is CC(C)C(N)C(=O)NC1CCCCC1CO.
What is the InChIKey of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The InChIKey is VYSXSUPSGFFVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)11(13)12(16)14-10-6-4-3-5-9(10)7-15/h8-11,15H,3-7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 4 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-methylbutanamide is sourced from PubChem (CID 106361456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).