N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine

C17H31N3 — CID 63693085

IUPACN'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CCN(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H31N3/c1-6-11-18-17(14-20(5)13-12-19(3)4)16-9-7-15(2)8-10-16/h7-10,17-18H,6,11-14H2,1-5H3
InChIKeyWCVBLUJPTJOSEZ-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.53
Rot. Bonds9

About N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine

N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine (PubChem CID 63693085) 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-(4-methylphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
PubChem CID63693085
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CCN(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H31N3/c1-6-11-18-17(14-20(5)13-12-19(3)4)16-9-7-15(2)8-10-16/h7-10,17-18H,6,11-14H2,1-5H3
InChIKeyWCVBLUJPTJOSEZ-UHFFFAOYSA-N
XLogP2.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
CID 81035781
1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469252
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N'-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63695016
N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63470309
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)ethanol
CID 63701341
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63693086
N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206960
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine (CID 63693085) is N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine is CCCNC(CN(C)CCN(C)C)c1ccc(C)cc1.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
The InChIKey is WCVBLUJPTJOSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-11-18-17(14-20(5)13-12-19(3)4)16-9-7-15(2)8-10-16/h7-10,17-18H,6,11-14H2,1-5H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.53, 9 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-(4-methylphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 63693085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).