N-(3-aminopropyl)-2-methylpropanamide

C7H16N2O — CID 13030899

IUPACN-(3-aminopropyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCCN
InChIInChI=1S/C7H16N2O/c1-6(2)7(10)9-5-3-4-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyGZHDSRBTCOHPIG-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.11
Rot. Bonds4

About N-(3-aminopropyl)-2-methylpropanamide

N-(3-aminopropyl)-2-methylpropanamide (PubChem CID 13030899) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methylpropanamide
PubChem CID13030899
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(3-aminopropyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCCN
InChIInChI=1S/C7H16N2O/c1-6(2)7(10)9-5-3-4-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyGZHDSRBTCOHPIG-UHFFFAOYSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N1-Acetylspermine
CID 916
N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N-Ethylpropionamide
CID 521324
N-Isobutylacetamide
CID 137071
Butanamide, N-(2-methylpropyl)-
CID 346250
N-Isopentylacetamide
CID 98643
Acetamidopropyl trimonium chloride
CID 57483053
n-Butyl-2-methylpropanamide
CID 221968
N(1)-acetylsperminium(3+)
CID 25201943
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
n-(2-Methylbutyl)acetamide
CID 291446

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-2-methylpropanamide (CID 13030899) is N-(3-aminopropyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-2-methylpropanamide is CC(C)C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-methylpropanamide?
The InChIKey is GZHDSRBTCOHPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(2)7(10)9-5-3-4-8/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of N-(3-aminopropyl)-2-methylpropanamide?
N-(3-aminopropyl)-2-methylpropanamide has a molecular weight of 144.22 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methylpropanamide is sourced from PubChem (CID 13030899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).