1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine

C19H34N2 — CID 79058290

IUPAC1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
SMILESCCNC(c1ccc(C)cc1C)C(C)(CC)N(CC)CC
InChIInChI=1S/C19H34N2/c1-8-19(7,21(10-3)11-4)18(20-9-2)17-13-12-15(5)14-16(17)6/h12-14,18,20H,8-11H2,1-7H3
InChIKeyGBVGWQYIVDMYOW-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.46
Rot. Bonds8

About 1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine

1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine (PubChem CID 79058290) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
PubChem CID79058290
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
SMILESCCNC(c1ccc(C)cc1C)C(C)(CC)N(CC)CC
InChIInChI=1S/C19H34N2/c1-8-19(7,21(10-3)11-4)18(20-9-2)17-13-12-15(5)14-16(17)6/h12-14,18,20H,8-11H2,1-7H3
InChIKeyGBVGWQYIVDMYOW-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine
CID 79989059
3-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine
CID 105241954
1-N,2-N,2-N-triethyl-1-(4-fluoro-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 79056921
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
1-N,2-N,2-N-triethyl-1-(4-methoxy-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 79046675
N,N-diethyl-1-(2-fluoro-5-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240808
N,N-diethyl-1-hydrazinyl-2-methyl-1-(2,4,5-trimethylphenyl)butan-2-amine
CID 105240936
1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069136
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine
CID 79069153
N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
CID 63469719
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine (CID 79058290) is 1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine is CCNC(c1ccc(C)cc1C)C(C)(CC)N(CC)CC.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
The InChIKey is GBVGWQYIVDMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-19(7,21(10-3)11-4)18(20-9-2)17-13-12-15(5)14-16(17)6/h12-14,18,20H,8-11H2,1-7H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 79058290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).