N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine

C14H28N2O — CID 63098109

IUPACN'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(CCNC1CCOCC1)C1CCCCC1
InChIInChI=1S/C14H28N2O/c1-16(14-5-3-2-4-6-14)10-9-15-13-7-11-17-12-8-13/h13-15H,2-12H2,1H3
InChIKeySTLQALYIJFMVEH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds5

About N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine

N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 63098109) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine
PubChem CID63098109
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(CCNC1CCOCC1)C1CCCCC1
InChIInChI=1S/C14H28N2O/c1-16(14-5-3-2-4-6-14)10-9-15-13-7-11-17-12-8-13/h13-15H,2-12H2,1H3
InChIKeySTLQALYIJFMVEH-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine (CID 63098109) is N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine is CN(CCNC1CCOCC1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is STLQALYIJFMVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(14-5-3-2-4-6-14)10-9-15-13-7-11-17-12-8-13/h13-15H,2-12H2,1H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 63098109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).