2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine

C16H34N2 — CID 79478118

IUPAC2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
SMILESCCC(C)CN(CC)C1CC(C)(C)CCC1NC
InChIInChI=1S/C16H34N2/c1-7-13(3)12-18(8-2)15-11-16(4,5)10-9-14(15)17-6/h13-15,17H,7-12H2,1-6H3
InChIKeyZWLOSURLKYKMKV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds6

About 2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine

2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine (PubChem CID 79478118) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
PubChem CID79478118
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
SMILESCCC(C)CN(CC)C1CC(C)(C)CCC1NC
InChIInChI=1S/C16H34N2/c1-7-13(3)12-18(8-2)15-11-16(4,5)10-9-14(15)17-6/h13-15,17H,7-12H2,1-6H3
InChIKeyZWLOSURLKYKMKV-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine (CID 79478118) is 2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine is CCC(C)CN(CC)C1CC(C)(C)CCC1NC.
What is the InChIKey of 2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine?
The InChIKey is ZWLOSURLKYKMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-13(3)12-18(8-2)15-11-16(4,5)10-9-14(15)17-6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine?
2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79478118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).