1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine

C19H40N2 — CID 79058322

IUPAC1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine
SMILESCCNC(C1CCCCC1CC)C(C)(CC)N(CC)CC
InChIInChI=1S/C19H40N2/c1-7-16-14-12-13-15-17(16)18(20-9-3)19(6,8-2)21(10-4)11-5/h16-18,20H,7-15H2,1-6H3
InChIKeyDQMVHANPRQOBRY-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds9

About 1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine

1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine (PubChem CID 79058322) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine
PubChem CID79058322
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine
SMILESCCNC(C1CCCCC1CC)C(C)(CC)N(CC)CC
InChIInChI=1S/C19H40N2/c1-7-16-14-12-13-15-17(16)18(20-9-3)19(6,8-2)21(10-4)11-5/h16-18,20H,7-15H2,1-6H3
InChIKeyDQMVHANPRQOBRY-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine (CID 79058322) is 1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine is CCNC(C1CCCCC1CC)C(C)(CC)N(CC)CC.
What is the InChIKey of 1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine?
The InChIKey is DQMVHANPRQOBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-7-16-14-12-13-15-17(16)18(20-9-3)19(6,8-2)21(10-4)11-5/h16-18,20H,7-15H2,1-6H3.
What are the key properties of 1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine?
1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine is sourced from PubChem (CID 79058322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).