N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C17H31N3 — CID 63693986

IUPACN'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNC(CN(C)CCCN(C)C)c1ccccc1C
InChIInChI=1S/C17H31N3/c1-6-18-17(16-11-8-7-10-15(16)2)14-20(5)13-9-12-19(3)4/h7-8,10-11,17-18H,6,9,12-14H2,1-5H3
InChIKeyYYIBWKNRWTWRMQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.53
Rot. Bonds9

About N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63693986) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63693986
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNC(CN(C)CCCN(C)C)c1ccccc1C
InChIInChI=1S/C17H31N3/c1-6-18-17(16-11-8-7-10-15(16)2)14-20(5)13-9-12-19(3)4/h7-8,10-11,17-18H,6,9,12-14H2,1-5H3
InChIKeyYYIBWKNRWTWRMQ-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

1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 63695538
N'-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63695016
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62985012
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
1-(2,3-dimethylphenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092443
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665
N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63694845
N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983603
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 79480262

Frequently Asked Questions

What is the IUPAC name of N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63693986) is N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CCNC(CN(C)CCCN(C)C)c1ccccc1C.
What is the InChIKey of N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is YYIBWKNRWTWRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-18-17(16-11-8-7-10-15(16)2)14-20(5)13-9-12-19(3)4/h7-8,10-11,17-18H,6,9,12-14H2,1-5H3.
What are the key properties of N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-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-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63693986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).