3-amino-N-hexan-2-yl-3-methylbutanamide

C11H24N2O — CID 64677229

IUPAC3-amino-N-hexan-2-yl-3-methylbutanamide
SMILESCCCCC(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C11H24N2O/c1-5-6-7-9(2)13-10(14)8-11(3,4)12/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyBAHNWYVDGNETDO-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.81
Rot. Bonds6

About 3-amino-N-hexan-2-yl-3-methylbutanamide

3-amino-N-hexan-2-yl-3-methylbutanamide (PubChem CID 64677229) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-amino-N-hexan-2-yl-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-hexan-2-yl-3-methylbutanamide
PubChem CID64677229
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-amino-N-hexan-2-yl-3-methylbutanamide
SMILESCCCCC(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C11H24N2O/c1-5-6-7-9(2)13-10(14)8-11(3,4)12/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyBAHNWYVDGNETDO-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-hexan-2-yl-3-methylbutanamide 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

3-amino-3-methyl-N-octan-2-ylbutanamide
CID 64684049
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 64676802
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide
CID 115740017
N-hexan-2-ylbutanamide
CID 64592038
2-amino-N-heptan-2-yl-2-methylpropanamide
CID 61264408
N-dodecan-2-ylpropanamide
CID 174988669
N-[(2R)-hexan-2-yl]-2-methoxyacetamide
CID 24773041
N-hexan-2-yl-2-methoxyacetamide
CID 64592486
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
2-amino-2-cyclopropyl-N-hexan-2-ylpropanamide
CID 62198947
2-cyano-N-[(2R)-hexan-2-yl]acetamide
CID 94372249
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79250532

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexan-2-yl-3-methylbutanamide?
The IUPAC name of 3-amino-N-hexan-2-yl-3-methylbutanamide (CID 64677229) is 3-amino-N-hexan-2-yl-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-hexan-2-yl-3-methylbutanamide?
The canonical SMILES for 3-amino-N-hexan-2-yl-3-methylbutanamide is CCCCC(C)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-hexan-2-yl-3-methylbutanamide?
The InChIKey is BAHNWYVDGNETDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-6-7-9(2)13-10(14)8-11(3,4)12/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-N-hexan-2-yl-3-methylbutanamide?
3-amino-N-hexan-2-yl-3-methylbutanamide has a molecular weight of 200.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexan-2-yl-3-methylbutanamide is sourced from PubChem (CID 64677229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).