N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine

C14H28N2O — CID 82754007

IUPACN'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)C2CCOC2)CC1
InChIInChI=1S/C14H28N2O/c1-12-3-5-13(6-4-12)15-8-9-16(2)14-7-10-17-11-14/h12-15H,3-11H2,1-2H3
InChIKeyXVHVBYUUUHWJMZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine

N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82754007) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82754007
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)C2CCOC2)CC1
InChIInChI=1S/C14H28N2O/c1-12-3-5-13(6-4-12)15-8-9-16(2)14-7-10-17-11-14/h12-15H,3-11H2,1-2H3
InChIKeyXVHVBYUUUHWJMZ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82754007) is N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine is CC1CCC(NCCN(C)C2CCOC2)CC1.
What is the InChIKey of N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is XVHVBYUUUHWJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-3-5-13(6-4-12)15-8-9-16(2)14-7-10-17-11-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82754007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).