N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine

C17H31N3 — CID 63699477

IUPACN'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCN(C)C)c1ccccc1
InChIInChI=1S/C17H31N3/c1-5-12-18-17(16-9-7-6-8-10-16)11-13-20(4)15-14-19(2)3/h6-10,17-18H,5,11-15H2,1-4H3
InChIKeyGHDIKYDHZIGSCZ-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.61
Rot. Bonds10

About N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine

N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine (PubChem CID 63699477) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
PubChem CID63699477
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCN(C)C)c1ccccc1
InChIInChI=1S/C17H31N3/c1-5-12-18-17(16-9-7-6-8-10-16)11-13-20(4)15-14-19(2)3/h6-10,17-18H,5,11-15H2,1-4H3
InChIKeyGHDIKYDHZIGSCZ-UHFFFAOYSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-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

Related Compounds

N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612607
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63693085
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
CID 116544972

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine (CID 63699477) is N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CCN(C)C)c1ccccc1.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
The InChIKey is GHDIKYDHZIGSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-12-18-17(16-9-7-6-8-10-16)11-13-20(4)15-14-19(2)3/h6-10,17-18H,5,11-15H2,1-4H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 63699477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).