(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide

C12H26N2O — CID 61158361

IUPAC(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
SMILESCC(C)CCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)6-5-7-14-12(15)11(13)8-10(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyQGYABKCKGOGPDR-NSHDSACASA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide

(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide (PubChem CID 61158361) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
PubChem CID61158361
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
SMILESCC(C)CCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)6-5-7-14-12(15)11(13)8-10(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyQGYABKCKGOGPDR-NSHDSACASA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
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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Related Compounds

2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide
CID 163422080
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
(2R)-2-amino-N-(3-cyclopropylpropyl)-4-methylpentanamide
CID 104904077
1-amino-3-(4-methylpentyl)urea
CID 63004667
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide (CID 61158361) is (2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide is CC(C)CCCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide?
The InChIKey is QGYABKCKGOGPDR-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)6-5-7-14-12(15)11(13)8-10(3)4/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide?
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide is sourced from PubChem (CID 61158361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).