(2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide

C14H31N3O — CID 22689913

IUPAC(2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide
SMILESCCN(CC)C(C)(C)CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H31N3O/c1-7-17(8-2)14(5,6)10-16-13(18)12(15)9-11(3)4/h11-12H,7-10,15H2,1-6H3,(H,16,18)/t12-/m0/s1
InChIKeyLCXFBYIROSZUQH-LBPRGKRZSA-N
MW257.42 g/mol
LogP1.60
Rot. Bonds8

About (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide (PubChem CID 22689913) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide
PubChem CID22689913
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name(2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide
SMILESCCN(CC)C(C)(C)CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H31N3O/c1-7-17(8-2)14(5,6)10-16-13(18)12(15)9-11(3)4/h11-12H,7-10,15H2,1-6H3,(H,16,18)/t12-/m0/s1
InChIKeyLCXFBYIROSZUQH-LBPRGKRZSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244
2-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate
CID 113266912
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291529
(2R)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291723
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylpentanamide
CID 62639879
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide (CID 22689913) is (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide is CCN(CC)C(C)(C)CNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide?
The InChIKey is LCXFBYIROSZUQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H31N3O/c1-7-17(8-2)14(5,6)10-16-13(18)12(15)9-11(3)4/h11-12H,7-10,15H2,1-6H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide has a molecular weight of 257.42 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide is sourced from PubChem (CID 22689913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).