N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide

C13H28N2O — CID 119572055

IUPACN-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide
SMILESCCC(CC)(CN)NC(=O)CC(C)C(C)C
InChIInChI=1S/C13H28N2O/c1-6-13(7-2,9-14)15-12(16)8-11(5)10(3)4/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyPJVBLKZJIFRKAZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide

N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide (PubChem CID 119572055) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide
PubChem CID119572055
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide
SMILESCCC(CC)(CN)NC(=O)CC(C)C(C)C
InChIInChI=1S/C13H28N2O/c1-6-13(7-2,9-14)15-12(16)8-11(5)10(3)4/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyPJVBLKZJIFRKAZ-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide 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

N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxypropanamide;hydrochloride
CID 119569284
3-(aminomethyl)pentan-3-ylurea
CID 63766558
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylbutylsulfanyl)acetamide
CID 119571110
N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide
CID 119569913
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119571655
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
CID 119571336
N-[3-(aminomethyl)pentan-3-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 119569293
N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide
CID 119569993
N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
CID 63889752
N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide (CID 119572055) is N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide is CCC(CC)(CN)NC(=O)CC(C)C(C)C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide?
The InChIKey is PJVBLKZJIFRKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-13(7-2,9-14)15-12(16)8-11(5)10(3)4/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide?
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylpentanamide is sourced from PubChem (CID 119572055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).