N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine

C15H26N2 — CID 62628527

IUPACN',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-10-16-15(9-11-17(3)4)14-8-6-7-13(2)12-14/h6-8,12,15-16H,5,9-11H2,1-4H3
InChIKeyOVWJURFSBREZPS-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.99
Rot. Bonds7

About N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine

N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine (PubChem CID 62628527) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
PubChem CID62628527
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-10-16-15(9-11-17(3)4)14-8-6-7-13(2)12-14/h6-8,12,15-16H,5,9-11H2,1-4H3
InChIKeyOVWJURFSBREZPS-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
CID 116544972
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62693018
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 55098067
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 115346847
1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
CID 106674181
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
N-[1-(3-methylphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62473096

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine (CID 62628527) is N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine is CCCNC(CCN(C)C)c1cccc(C)c1.
What is the InChIKey of N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine?
The InChIKey is OVWJURFSBREZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-10-16-15(9-11-17(3)4)14-8-6-7-13(2)12-14/h6-8,12,15-16H,5,9-11H2,1-4H3.
What are the key properties of N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine?
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 62628527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).