3,3-dimethyl-N-propan-2-ylpentanamide

C10H21NO — CID 89006014

IUPAC3,3-dimethyl-N-propan-2-ylpentanamide
SMILESCCC(C)(C)CC(=O)NC(C)C
InChIInChI=1S/C10H21NO/c1-6-10(4,5)7-9(12)11-8(2)3/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyJWAQERNRCGRJKG-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds4

About 3,3-dimethyl-N-propan-2-ylpentanamide

3,3-dimethyl-N-propan-2-ylpentanamide (PubChem CID 89006014) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-propan-2-ylpentanamide
PubChem CID89006014
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3,3-dimethyl-N-propan-2-ylpentanamide
SMILESCCC(C)(C)CC(=O)NC(C)C
InChIInChI=1S/C10H21NO/c1-6-10(4,5)7-9(12)11-8(2)3/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyJWAQERNRCGRJKG-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-N-propan-2-ylpentanamide 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

3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
3,3-dimethyl-N-[(2R)-4-methyl-4-methylsulfanylpentan-2-yl]pentanamide
CID 167663475
4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 178168451
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
3,3-dimethyl-5-oxo-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
CID 62933699
(3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide
CID 97095456
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
ethane;N-propan-2-ylbutanamide
CID 169175258
methyl 3,3-dimethylpentanoate
CID 3757207
2-methyl-N-propan-2-yl-2-sulfanylbutanamide
CID 176964784
2-tert-butylsulfanyl-N-propan-2-ylacetamide
CID 126656909

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propan-2-ylpentanamide?
The IUPAC name of 3,3-dimethyl-N-propan-2-ylpentanamide (CID 89006014) is 3,3-dimethyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 3,3-dimethyl-N-propan-2-ylpentanamide?
The canonical SMILES for 3,3-dimethyl-N-propan-2-ylpentanamide is CCC(C)(C)CC(=O)NC(C)C.
What is the InChIKey of 3,3-dimethyl-N-propan-2-ylpentanamide?
The InChIKey is JWAQERNRCGRJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-10(4,5)7-9(12)11-8(2)3/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of 3,3-dimethyl-N-propan-2-ylpentanamide?
3,3-dimethyl-N-propan-2-ylpentanamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 89006014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).