2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine

C15H32N2 — CID 54948148

IUPAC2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
SMILESCCC1CCC(N(C)C(CC)(CC)CN)CC1
InChIInChI=1S/C15H32N2/c1-5-13-8-10-14(11-9-13)17(4)15(6-2,7-3)12-16/h13-14H,5-12,16H2,1-4H3
InChIKeyOCWAPLVIHANQLI-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds6

About 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine

2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine (PubChem CID 54948148) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
PubChem CID54948148
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
SMILESCCC1CCC(N(C)C(CC)(CC)CN)CC1
InChIInChI=1S/C15H32N2/c1-5-13-8-10-14(11-9-13)17(4)15(6-2,7-3)12-16/h13-14H,5-12,16H2,1-4H3
InChIKeyOCWAPLVIHANQLI-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine (CID 54948148) is 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine is CCC1CCC(N(C)C(CC)(CC)CN)CC1.
What is the InChIKey of 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
The InChIKey is OCWAPLVIHANQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-13-8-10-14(11-9-13)17(4)15(6-2,7-3)12-16/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 54948148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).