1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine

C19H34N2 — CID 63469586

IUPAC1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine
SMILESCCC(CC)CN(CC)CC(NC)c1cc(C)ccc1C
InChIInChI=1S/C19H34N2/c1-7-17(8-2)13-21(9-3)14-19(20-6)18-12-15(4)10-11-16(18)5/h10-12,17,19-20H,7-9,13-14H2,1-6H3
InChIKeyJVUBBANVVAIHFH-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.32
Rot. Bonds9

About 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine

1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine (PubChem CID 63469586) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine
PubChem CID63469586
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine
SMILESCCC(CC)CN(CC)CC(NC)c1cc(C)ccc1C
InChIInChI=1S/C19H34N2/c1-7-17(8-2)13-21(9-3)14-19(20-6)18-12-15(4)10-11-16(18)5/h10-12,17,19-20H,7-9,13-14H2,1-6H3
InChIKeyJVUBBANVVAIHFH-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63697542
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol
CID 63471145
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 63469942
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 81056552
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 79477638
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 63565743

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine (CID 63469586) is 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine is CCC(CC)CN(CC)CC(NC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine?
The InChIKey is JVUBBANVVAIHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-17(8-2)13-21(9-3)14-19(20-6)18-12-15(4)10-11-16(18)5/h10-12,17,19-20H,7-9,13-14H2,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine?
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 63469586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).