2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine

C17H36N2 — CID 64751735

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine
SMILESCCC(CC)CN(CC)C1C(C)CC(C)CC1NC
InChIInChI=1S/C17H36N2/c1-7-15(8-2)12-19(9-3)17-14(5)10-13(4)11-16(17)18-6/h13-18H,7-12H2,1-6H3
InChIKeyTUXZDNYPVXKAPG-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds7

About 2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine

2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine (PubChem CID 64751735) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine
PubChem CID64751735
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine
SMILESCCC(CC)CN(CC)C1C(C)CC(C)CC1NC
InChIInChI=1S/C17H36N2/c1-7-15(8-2)12-19(9-3)17-14(5)10-13(4)11-16(17)18-6/h13-18H,7-12H2,1-6H3
InChIKeyTUXZDNYPVXKAPG-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-1-N,3,5-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724640
2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64724627
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 102992390
1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724829
1-N,2-N,3,5-tetramethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 64724225
2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78998617
3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750941
2-N-(2,2-dimethylpropyl)-1-N,2-N,3,5-tetramethylcyclohexane-1,2-diamine
CID 64753530
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 63495552
2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191408
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64736237

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine (CID 64751735) is 2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine is CCC(CC)CN(CC)C1C(C)CC(C)CC1NC.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine?
The InChIKey is TUXZDNYPVXKAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-15(8-2)12-19(9-3)17-14(5)10-13(4)11-16(17)18-6/h13-18H,7-12H2,1-6H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 64751735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).