2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine

C16H34N2 — CID 62260394

IUPAC2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
SMILESCCC1CCC(N(C)CC(CC)(CC)CN)CC1
InChIInChI=1S/C16H34N2/c1-5-14-8-10-15(11-9-14)18(4)13-16(6-2,7-3)12-17/h14-15H,5-13,17H2,1-4H3
InChIKeyYNOROVOJCHPUFY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds7

About 2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine

2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine (PubChem CID 62260394) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
PubChem CID62260394
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
SMILESCCC1CCC(N(C)CC(CC)(CC)CN)CC1
InChIInChI=1S/C16H34N2/c1-5-14-8-10-15(11-9-14)18(4)13-16(6-2,7-3)12-17/h14-15H,5-13,17H2,1-4H3
InChIKeyYNOROVOJCHPUFY-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine (CID 62260394) is 2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine is CCC1CCC(N(C)CC(CC)(CC)CN)CC1.
What is the InChIKey of 2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine?
The InChIKey is YNOROVOJCHPUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-14-8-10-15(11-9-14)18(4)13-16(6-2,7-3)12-17/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine?
2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62260394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).