N-[3-(cyclopropylamino)propyl]-3-methylbutanamide

C11H22N2O — CID 43596351

IUPACN-[3-(cyclopropylamino)propyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCNC1CC1
InChIInChI=1S/C11H22N2O/c1-9(2)8-11(14)13-7-3-6-12-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyXTYIGAYKNCOKHZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds7

About N-[3-(cyclopropylamino)propyl]-3-methylbutanamide

N-[3-(cyclopropylamino)propyl]-3-methylbutanamide (PubChem CID 43596351) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-3-methylbutanamide
PubChem CID43596351
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[3-(cyclopropylamino)propyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCNC1CC1
InChIInChI=1S/C11H22N2O/c1-9(2)8-11(14)13-7-3-6-12-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyXTYIGAYKNCOKHZ-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(cyclopropylamino)propyl]-3-methylbutanamide 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-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
CID 43596504
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
CID 114875591
2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide
CID 112745062
N-[3-(cyclopropylamino)propyl]but-3-enamide
CID 62677792
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-[3-(cyclopropylamino)propyl]-2,2-dimethylpropanamide
CID 43596452
N-[3-(cyclopropylamino)propyl]-2-propylpentanamide
CID 82987984
N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
CID 103021358
(2S)-2-[3-(cyclopropylamino)propylcarbamoylamino]-3-methylbutanoic acid
CID 61408013

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-3-methylbutanamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-3-methylbutanamide (CID 43596351) is N-[3-(cyclopropylamino)propyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-3-methylbutanamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-3-methylbutanamide is CC(C)CC(=O)NCCCNC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-3-methylbutanamide?
The InChIKey is XTYIGAYKNCOKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)8-11(14)13-7-3-6-12-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(cyclopropylamino)propyl]-3-methylbutanamide?
N-[3-(cyclopropylamino)propyl]-3-methylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-3-methylbutanamide is sourced from PubChem (CID 43596351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).