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

C18H33N3 — CID 63698802

IUPACN'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCN(C)C)c1ccccc1C
InChIInChI=1S/C18H33N3/c1-6-12-19-18(17-10-8-7-9-16(17)2)11-13-21(5)15-14-20(3)4/h7-10,18-19H,6,11-15H2,1-5H3
InChIKeyWVQPYJHHZCDOOO-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.92
Rot. Bonds10

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

N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine (PubChem CID 63698802) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
PubChem CID63698802
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCN(C)C)c1ccccc1C
InChIInChI=1S/C18H33N3/c1-6-12-19-18(17-10-8-7-9-16(17)2)11-13-21(5)15-14-20(3)4/h7-10,18-19H,6,11-15H2,1-5H3
InChIKeyWVQPYJHHZCDOOO-UHFFFAOYSA-N
XLogP2.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987446
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 115346850
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 63695538

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine (CID 63698802) is N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CCN(C)C)c1ccccc1C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine?
The InChIKey is WVQPYJHHZCDOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-12-19-18(17-10-8-7-9-16(17)2)11-13-21(5)15-14-20(3)4/h7-10,18-19H,6,11-15H2,1-5H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine?
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 2.92, 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-(2-methylphenyl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 63698802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).