(2S)-2-amino-N-cyclohexyl-4-methylpentanamide

C12H24N2O — CID 11806021

IUPAC(2S)-2-amino-N-cyclohexyl-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-9(2)8-11(13)12(15)14-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyHSSUYUOGBBEEJO-NSHDSACASA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds4

About (2S)-2-amino-N-cyclohexyl-4-methylpentanamide

(2S)-2-amino-N-cyclohexyl-4-methylpentanamide (PubChem CID 11806021) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclohexyl-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclohexyl-4-methylpentanamide
PubChem CID11806021
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-cyclohexyl-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-9(2)8-11(13)12(15)14-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyHSSUYUOGBBEEJO-NSHDSACASA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclohexyl-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-cyclohexyl-4-methylpentanamide (CID 11806021) is (2S)-2-amino-N-cyclohexyl-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclohexyl-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-cyclohexyl-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-cyclohexyl-4-methylpentanamide?
The InChIKey is HSSUYUOGBBEEJO-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)8-11(13)12(15)14-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclohexyl-4-methylpentanamide?
(2S)-2-amino-N-cyclohexyl-4-methylpentanamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclohexyl-4-methylpentanamide is sourced from PubChem (CID 11806021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).