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

C15H30N2O — CID 63707526

IUPACN-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNC1CCCCC1)CC1CCOCC1
InChIInChI=1S/C15H30N2O/c1-17(13-14-7-11-18-12-8-14)10-9-16-15-5-3-2-4-6-15/h14-16H,2-13H2,1H3
InChIKeyCDYKHXXXRBYCJN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

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

N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine (PubChem CID 63707526) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
PubChem CID63707526
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNC1CCCCC1)CC1CCOCC1
InChIInChI=1S/C15H30N2O/c1-17(13-14-7-11-18-12-8-14)10-9-16-15-5-3-2-4-6-15/h14-16H,2-13H2,1H3
InChIKeyCDYKHXXXRBYCJN-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
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-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine (CID 63707526) is N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine is CN(CCNC1CCCCC1)CC1CCOCC1.
What is the InChIKey of N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is CDYKHXXXRBYCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-17(13-14-7-11-18-12-8-14)10-9-16-15-5-3-2-4-6-15/h14-16H,2-13H2,1H3.
What are the key properties of N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine?
N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 6 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-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63707526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).