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

C12H26N2O — CID 61154581

IUPAC(2S)-2-amino-N-hexyl-4-methylpentanamide
SMILESCCCCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26N2O/c1-4-5-6-7-8-14-12(15)11(13)9-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyGXPNHXBMEWEQBU-NSHDSACASA-N
MW214.35 g/mol
LogP2.06
Rot. Bonds8

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

(2S)-2-amino-N-hexyl-4-methylpentanamide (PubChem CID 61154581) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S)-2-amino-N-hexyl-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hexyl-4-methylpentanamide
PubChem CID61154581
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S)-2-amino-N-hexyl-4-methylpentanamide
SMILESCCCCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26N2O/c1-4-5-6-7-8-14-12(15)11(13)9-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyGXPNHXBMEWEQBU-NSHDSACASA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hexyl-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-hexyl-4-methylpentanamide (CID 61154581) is (2S)-2-amino-N-hexyl-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-hexyl-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-hexyl-4-methylpentanamide is CCCCCCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-hexyl-4-methylpentanamide?
The InChIKey is GXPNHXBMEWEQBU-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-5-6-7-8-14-12(15)11(13)9-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-hexyl-4-methylpentanamide?
(2S)-2-amino-N-hexyl-4-methylpentanamide has a molecular weight of 214.35 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hexyl-4-methylpentanamide is sourced from PubChem (CID 61154581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).