1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine

C20H36N2 — CID 87460375

IUPAC1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine
SMILESCCc1cc(CC)c(NC(C)CC)c(CC)c1NC(C)CC
InChIInChI=1S/C20H36N2/c1-8-14(6)21-19-16(10-3)13-17(11-4)20(18(19)12-5)22-15(7)9-2/h13-15,21-22H,8-12H2,1-7H3
InChIKeyQQVCDQQXEIVVGJ-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.79
Rot. Bonds9

About 1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine

1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine (PubChem CID 87460375) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine
PubChem CID87460375
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine
SMILESCCc1cc(CC)c(NC(C)CC)c(CC)c1NC(C)CC
InChIInChI=1S/C20H36N2/c1-8-14(6)21-19-16(10-3)13-17(11-4)20(18(19)12-5)22-15(7)9-2/h13-15,21-22H,8-12H2,1-7H3
InChIKeyQQVCDQQXEIVVGJ-UHFFFAOYSA-N
XLogP5.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butan-2-yl-4,5-diethyl-2-methylbenzene-1,3-diamine
CID 87459767
N-butan-2-yl-2,3,5,6-tetrafluoroaniline
CID 107644089
N-butan-2-yl-3-(ethoxymethyl)-4-ethyl-2,6-dinitroaniline
CID 154125076
2,6-diethyl-N-(1-methoxypropan-2-yl)aniline
CID 15051296
cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride
CID 18441331
N-[(2S)-butan-2-yl]-4-tert-butyl-2,6-dinitroaniline
CID 76956339
4-[[(2S)-butan-2-yl]amino]-3,5-dinitrobenzoic acid
CID 7103891
5-(butan-2-ylamino)benzene-1,3-dicarboxylic acid
CID 79694524
N-butan-2-yl-3,5-difluoroaniline
CID 43196032
4-[[(2R)-butan-2-yl]amino]-3,5-dinitrobenzoate
CID 7103888
2-[[(2R)-butan-2-yl]amino]-3-methylbenzene-1,4-dicarboxamide
CID 140538451
6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione
CID 129499114

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine (CID 87460375) is 1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine is CCc1cc(CC)c(NC(C)CC)c(CC)c1NC(C)CC.
What is the InChIKey of 1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine?
The InChIKey is QQVCDQQXEIVVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-8-14(6)21-19-16(10-3)13-17(11-4)20(18(19)12-5)22-15(7)9-2/h13-15,21-22H,8-12H2,1-7H3.
What are the key properties of 1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine?
1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine has a molecular weight of 304.52 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine is sourced from PubChem (CID 87460375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).