3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine

C22H38N4 — CID 24899042

IUPAC3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
SMILESc1cc(CNCCCN2CCCC2)ccc1CNCCCN1CCCC1
InChIInChI=1S/C22H38N4/c1-2-14-25(13-1)17-5-11-23-19-21-7-9-22(10-8-21)20-24-12-6-18-26-15-3-4-16-26/h7-10,23-24H,1-6,11-20H2
InChIKeyJCFOJFSFYPKFOR-UHFFFAOYSA-N
MW358.57 g/mol
LogP2.84
Rot. Bonds12

About 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine

3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine (PubChem CID 24899042) has the molecular formula C22H38N4 and a molecular weight of 358.57 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
PubChem CID24899042
Molecular FormulaC22H38N4
Molecular Weight358.57 g/mol
Exact Mass358.31
IUPAC Name3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
SMILESc1cc(CNCCCN2CCCC2)ccc1CNCCCN1CCCC1
InChIInChI=1S/C22H38N4/c1-2-14-25(13-1)17-5-11-23-19-21-7-9-22(10-8-21)20-24-12-6-18-26-15-3-4-16-26/h7-10,23-24H,1-6,11-20H2
InChIKeyJCFOJFSFYPKFOR-UHFFFAOYSA-N
XLogP2.84
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine 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 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine (CID 24899042) is 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine is c1cc(CNCCCN2CCCC2)ccc1CNCCCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is JCFOJFSFYPKFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4/c1-2-14-25(13-1)17-5-11-23-19-21-7-9-22(10-8-21)20-24-12-6-18-26-15-3-4-16-26/h7-10,23-24H,1-6,11-20H2.
What are the key properties of 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine?
3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 358.57 g/mol, XLogP of 2.84, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-[[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 24899042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).