2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine

C17H26ClN3 — CID 135489582

IUPAC2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine
SMILESCCN(CC)CC/N=C1\CC(c2ccc(Cl)cc2)C(C)N1
InChIInChI=1S/C17H26ClN3/c1-4-21(5-2)11-10-19-17-12-16(13(3)20-17)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyGGZXDWZUENHBNX-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.55
Rot. Bonds6

About 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine

2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine (PubChem CID 135489582) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine
PubChem CID135489582
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine
SMILESCCN(CC)CC/N=C1\CC(c2ccc(Cl)cc2)C(C)N1
InChIInChI=1S/C17H26ClN3/c1-4-21(5-2)11-10-19-17-12-16(13(3)20-17)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyGGZXDWZUENHBNX-UHFFFAOYSA-N
XLogP3.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine 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 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine?
The IUPAC name of 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine (CID 135489582) is 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine is CCN(CC)CC/N=C1\CC(c2ccc(Cl)cc2)C(C)N1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine?
The InChIKey is GGZXDWZUENHBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-4-21(5-2)11-10-19-17-12-16(13(3)20-17)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine?
2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine has a molecular weight of 307.87 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine is sourced from PubChem (CID 135489582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).