3-(2-methylpentylamino)-N-propan-2-ylpropanamide

C12H26N2O — CID 115904706

IUPAC3-(2-methylpentylamino)-N-propan-2-ylpropanamide
SMILESCCCC(C)CNCCC(=O)NC(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-11(4)9-13-8-7-12(15)14-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyGDWRCYZUXHSJRX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds8

About 3-(2-methylpentylamino)-N-propan-2-ylpropanamide

3-(2-methylpentylamino)-N-propan-2-ylpropanamide (PubChem CID 115904706) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(2-methylpentylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-methylpentylamino)-N-propan-2-ylpropanamide
PubChem CID115904706
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(2-methylpentylamino)-N-propan-2-ylpropanamide
SMILESCCCC(C)CNCCC(=O)NC(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-11(4)9-13-8-7-12(15)14-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyGDWRCYZUXHSJRX-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methylpentylamino)-N-propan-2-ylpropanamide 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,N-dimethyl-3-(2-methylpentylamino)propanamide
CID 60926846
3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203515
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide
CID 66091624
ethane;N-propan-2-ylbutanamide
CID 169175258
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
N-propan-2-yl-3-(3-propoxypropylamino)propanamide
CID 82942492
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
methyl 3-[2-(2-methylpentylamino)ethylsulfanyl]propanoate
CID 115907421

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-methylpentylamino)-N-propan-2-ylpropanamide (CID 115904706) is 3-(2-methylpentylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-methylpentylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-methylpentylamino)-N-propan-2-ylpropanamide is CCCC(C)CNCCC(=O)NC(C)C.
What is the InChIKey of 3-(2-methylpentylamino)-N-propan-2-ylpropanamide?
The InChIKey is GDWRCYZUXHSJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-6-11(4)9-13-8-7-12(15)14-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 3-(2-methylpentylamino)-N-propan-2-ylpropanamide?
3-(2-methylpentylamino)-N-propan-2-ylpropanamide has a molecular weight of 214.35 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 115904706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).