4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C18H29N3 — CID 79310746

IUPAC4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCc1cc(N(C)CC2CCCN2C)ccc1CNC1CC1
InChIInChI=1S/C18H29N3/c1-14-11-17(9-6-15(14)12-19-16-7-8-16)21(3)13-18-5-4-10-20(18)2/h6,9,11,16,18-19H,4-5,7-8,10,12-13H2,1-3H3
InChIKeyMXTIFDVUTDWMIA-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.78
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 79310746) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID79310746
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCc1cc(N(C)CC2CCCN2C)ccc1CNC1CC1
InChIInChI=1S/C18H29N3/c1-14-11-17(9-6-15(14)12-19-16-7-8-16)21(3)13-18-5-4-10-20(18)2/h6,9,11,16,18-19H,4-5,7-8,10,12-13H2,1-3H3
InChIKeyMXTIFDVUTDWMIA-UHFFFAOYSA-N
XLogP2.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 79310746) is 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is Cc1cc(N(C)CC2CCCN2C)ccc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is MXTIFDVUTDWMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-11-17(9-6-15(14)12-19-16-7-8-16)21(3)13-18-5-4-10-20(18)2/h6,9,11,16,18-19H,4-5,7-8,10,12-13H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 287.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 79310746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).