2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine

C17H36N2 — CID 79061743

IUPAC2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC1CCCC(C(NC)C(CC)(CC)N(C)C)C1
InChIInChI=1S/C17H36N2/c1-7-14-11-10-12-15(13-14)16(18-4)17(8-2,9-3)19(5)6/h14-16,18H,7-13H2,1-6H3
InChIKeyOBTVVJGADWABQH-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds7

About 2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine

2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 79061743) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
PubChem CID79061743
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC1CCCC(C(NC)C(CC)(CC)N(C)C)C1
InChIInChI=1S/C17H36N2/c1-7-14-11-10-12-15(13-14)16(18-4)17(8-2,9-3)19(5)6/h14-16,18H,7-13H2,1-6H3
InChIKeyOBTVVJGADWABQH-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine (CID 79061743) is 2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine is CCC1CCCC(C(NC)C(CC)(CC)N(C)C)C1.
What is the InChIKey of 2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is OBTVVJGADWABQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-14-11-10-12-15(13-14)16(18-4)17(8-2,9-3)19(5)6/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 79061743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).