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

C15H30N2O — CID 82734580

IUPACN-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)C2CCOC2C)CC1
InChIInChI=1S/C15H30N2O/c1-11-4-6-13(7-5-11)15(10-16)17(3)14-8-9-18-12(14)2/h11-15H,4-10,16H2,1-3H3
InChIKeyMGCYUICTEWMYOD-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds4

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

N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine (PubChem CID 82734580) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
PubChem CID82734580
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)C2CCOC2C)CC1
InChIInChI=1S/C15H30N2O/c1-11-4-6-13(7-5-11)15(10-16)17(3)14-8-9-18-12(14)2/h11-15H,4-10,16H2,1-3H3
InChIKeyMGCYUICTEWMYOD-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine (CID 82734580) is N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine is CC1CCC(C(CN)N(C)C2CCOC2C)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The InChIKey is MGCYUICTEWMYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-4-6-13(7-5-11)15(10-16)17(3)14-8-9-18-12(14)2/h11-15H,4-10,16H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82734580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).