(2S)-2-amino-N-hexan-2-ylbutanamide

C10H22N2O — CID 79023466

IUPAC(2S)-2-amino-N-hexan-2-ylbutanamide
SMILESCCCCC(C)NC(=O)[C@@H](N)CC
InChIInChI=1S/C10H22N2O/c1-4-6-7-8(3)12-10(13)9(11)5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyRWELYVVEGQCTJT-GKAPJAKFSA-N
MW186.30 g/mol
LogP1.42
Rot. Bonds6

About (2S)-2-amino-N-hexan-2-ylbutanamide

(2S)-2-amino-N-hexan-2-ylbutanamide (PubChem CID 79023466) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-2-amino-N-hexan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hexan-2-ylbutanamide
PubChem CID79023466
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-2-amino-N-hexan-2-ylbutanamide
SMILESCCCCC(C)NC(=O)[C@@H](N)CC
InChIInChI=1S/C10H22N2O/c1-4-6-7-8(3)12-10(13)9(11)5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyRWELYVVEGQCTJT-GKAPJAKFSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-hexan-2-ylbutanamide 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-octan-2-ylbutanamide
CID 43711439
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
CID 107145612
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide
CID 115734470

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hexan-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-N-hexan-2-ylbutanamide (CID 79023466) is (2S)-2-amino-N-hexan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-hexan-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-N-hexan-2-ylbutanamide is CCCCC(C)NC(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-hexan-2-ylbutanamide?
The InChIKey is RWELYVVEGQCTJT-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-6-7-8(3)12-10(13)9(11)5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-hexan-2-ylbutanamide?
(2S)-2-amino-N-hexan-2-ylbutanamide has a molecular weight of 186.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hexan-2-ylbutanamide is sourced from PubChem (CID 79023466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).