2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine

C16H27N3 — CID 63207033

IUPAC2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
SMILESCN(CCN1CCCC1)C(CN)Cc1ccccc1
InChIInChI=1S/C16H27N3/c1-18(11-12-19-9-5-6-10-19)16(14-17)13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14,17H2,1H3
InChIKeyLGYVFRMUNLONBN-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.58
Rot. Bonds7

About 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine

2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine (PubChem CID 63207033) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
PubChem CID63207033
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
SMILESCN(CCN1CCCC1)C(CN)Cc1ccccc1
InChIInChI=1S/C16H27N3/c1-18(11-12-19-9-5-6-10-19)16(14-17)13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14,17H2,1H3
InChIKeyLGYVFRMUNLONBN-UHFFFAOYSA-N
XLogP1.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine 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-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine (CID 63207033) is 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine is CN(CCN1CCCC1)C(CN)Cc1ccccc1.
What is the InChIKey of 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The InChIKey is LGYVFRMUNLONBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(11-12-19-9-5-6-10-19)16(14-17)13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14,17H2,1H3.
What are the key properties of 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 63207033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).