N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C18H32N2 — CID 63467905

IUPACN'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCN(CC(C)C)CC(NC)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H32N2/c1-8-20(11-13(2)3)12-17(19-7)18-15(5)9-14(4)10-16(18)6/h9-10,13,17,19H,8,11-12H2,1-7H3
InChIKeyLUIUQSCTOGABEA-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.85
Rot. Bonds7

About N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 63467905) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID63467905
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCN(CC(C)C)CC(NC)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H32N2/c1-8-20(11-13(2)3)12-17(19-7)18-15(5)9-14(4)10-16(18)6/h9-10,13,17,19H,8,11-12H2,1-7H3
InChIKeyLUIUQSCTOGABEA-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 63467905) is N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is CCN(CC(C)C)CC(NC)c1c(C)cc(C)cc1C.
What is the InChIKey of N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is LUIUQSCTOGABEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-8-20(11-13(2)3)12-17(19-7)18-15(5)9-14(4)10-16(18)6/h9-10,13,17,19H,8,11-12H2,1-7H3.
What are the key properties of N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63467905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).