(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide

C12H26N2O — CID 103929431

IUPAC(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
SMILESCC(C)CCCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)7-6-8-14-11(15)10(13)12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)/t10-/m0/s1
InChIKeyVQEONPNXTRHZPN-JTQLQIEISA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide (PubChem CID 103929431) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
PubChem CID103929431
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
SMILESCC(C)CCCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)7-6-8-14-11(15)10(13)12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)/t10-/m0/s1
InChIKeyVQEONPNXTRHZPN-JTQLQIEISA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 106161327
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667
(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
CID 103929425
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide (CID 103929431) is (2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide is CC(C)CCCNC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide?
The InChIKey is VQEONPNXTRHZPN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)7-6-8-14-11(15)10(13)12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide is sourced from PubChem (CID 103929431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).