1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine

C19H34N2 — CID 79060138

IUPAC1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine
SMILESCCNC(c1ccc(C)cc1)C(CC)(CC)N(CC)CC
InChIInChI=1S/C19H34N2/c1-7-19(8-2,21(10-4)11-5)18(20-9-3)17-14-12-16(6)13-15-17/h12-15,18,20H,7-11H2,1-6H3
InChIKeyDFPVQOMBHBPGDD-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.55
Rot. Bonds9

About 1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine

1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine (PubChem CID 79060138) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine
PubChem CID79060138
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine
SMILESCCNC(c1ccc(C)cc1)C(CC)(CC)N(CC)CC
InChIInChI=1S/C19H34N2/c1-7-19(8-2,21(10-4)11-5)18(20-9-3)17-14-12-16(6)13-15-17/h12-15,18,20H,7-11H2,1-6H3
InChIKeyDFPVQOMBHBPGDD-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79061588
1-(4-bromothiophen-3-yl)-1-N,2-N,2-N,2-tetraethylbutane-1,2-diamine
CID 79602458
3-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine
CID 105241954
3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine
CID 105241982
1-N,2-N,2-N-triethyl-2-methyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79046664
1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058290
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056899
N,N,3-triethyl-2-hydrazinyl-1-(4-methylphenyl)pentan-3-amine
CID 105242041
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 79061182
[2,2-dimethyl-1-(4-methylphenyl)butyl]hydrazine
CID 105285455

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine (CID 79060138) is 1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine is CCNC(c1ccc(C)cc1)C(CC)(CC)N(CC)CC.
What is the InChIKey of 1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine?
The InChIKey is DFPVQOMBHBPGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-19(8-2,21(10-4)11-5)18(20-9-3)17-14-12-16(6)13-15-17/h12-15,18,20H,7-11H2,1-6H3.
What are the key properties of 1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine?
1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 79060138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).