N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine

C15H26N2 — CID 62611599

IUPACN'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CC)c1ccccc1
InChIInChI=1S/C15H26N2/c1-4-12-16-15(11-13-17(3)5-2)14-9-7-6-8-10-14/h6-10,15-16H,4-5,11-13H2,1-3H3
InChIKeyUAIBJZXCEOYFJP-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.07
Rot. Bonds8

About N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine

N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine (PubChem CID 62611599) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
PubChem CID62611599
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CC)c1ccccc1
InChIInChI=1S/C15H26N2/c1-4-12-16-15(11-13-17(3)5-2)14-9-7-6-8-10-14/h6-10,15-16H,4-5,11-13H2,1-3H3
InChIKeyUAIBJZXCEOYFJP-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612607
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665
N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
CID 116544972
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine (CID 62611599) is N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CC)c1ccccc1.
What is the InChIKey of N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
The InChIKey is UAIBJZXCEOYFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-12-16-15(11-13-17(3)5-2)14-9-7-6-8-10-14/h6-10,15-16H,4-5,11-13H2,1-3H3.
What are the key properties of N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine?
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 62611599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).