N-(3-aminopropyl)-2,2-dimethylbutanamide

C9H20N2O — CID 22974841

IUPACN-(3-aminopropyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCN
InChIInChI=1S/C9H20N2O/c1-4-9(2,3)8(12)11-7-5-6-10/h4-7,10H2,1-3H3,(H,11,12)
InChIKeyOLKDPERMVCLEBX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds5

About N-(3-aminopropyl)-2,2-dimethylbutanamide

N-(3-aminopropyl)-2,2-dimethylbutanamide (PubChem CID 22974841) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,2-dimethylbutanamide
PubChem CID22974841
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(3-aminopropyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCN
InChIInChI=1S/C9H20N2O/c1-4-9(2,3)8(12)11-7-5-6-10/h4-7,10H2,1-3H3,(H,11,12)
InChIKeyOLKDPERMVCLEBX-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-2,2-dimethylbutanamide 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

N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N-butylbutanamide
CID 347960
Butanamide, N-(2-methylpropyl)-
CID 346250
N-Ethyl-2,2-diisopropylbutanamide
CID 3016598
N(1)-acetylspermidinium(2+)
CID 25203502
N-[4-(butanoylamino)butyl]butanamide
CID 2166864
N,N'-bis(3-methylbutyl)propanediamide
CID 2396523
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
C3-Amide-C4-NH2
CID 14484861
N-(3-Methylbutyl)propanamide
CID 5152799
Butanamide, 3-methyl-N-propyl
CID 528603

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(3-aminopropyl)-2,2-dimethylbutanamide (CID 22974841) is N-(3-aminopropyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2,2-dimethylbutanamide?
The InChIKey is OLKDPERMVCLEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-9(2,3)8(12)11-7-5-6-10/h4-7,10H2,1-3H3,(H,11,12).
What are the key properties of N-(3-aminopropyl)-2,2-dimethylbutanamide?
N-(3-aminopropyl)-2,2-dimethylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 22974841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).