N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine

C19H34N4 — CID 155405564

IUPACN,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine
SMILESCNCCCN(C)Cc1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C19H34N4/c1-17(2)22-12-14-23(15-13-22)19-8-6-18(7-9-19)16-21(4)11-5-10-20-3/h6-9,17,20H,5,10-16H2,1-4H3
InChIKeyBOFFJDLLFNGUTM-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.26
Rot. Bonds8

About N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine

N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine (PubChem CID 155405564) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine
PubChem CID155405564
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC NameN,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine
SMILESCNCCCN(C)Cc1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C19H34N4/c1-17(2)22-12-14-23(15-13-22)19-8-6-18(7-9-19)16-21(4)11-5-10-20-3/h6-9,17,20H,5,10-16H2,1-4H3
InChIKeyBOFFJDLLFNGUTM-UHFFFAOYSA-N
XLogP2.26
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Analyze N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-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 N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine (CID 155405564) is N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine is CNCCCN(C)Cc1ccc(N2CCN(C(C)C)CC2)cc1.
What is the InChIKey of N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine?
The InChIKey is BOFFJDLLFNGUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4/c1-17(2)22-12-14-23(15-13-22)19-8-6-18(7-9-19)16-21(4)11-5-10-20-3/h6-9,17,20H,5,10-16H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine?
N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine has a molecular weight of 318.51 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 155405564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).