4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine

C15H32N2O — CID 79115733

IUPAC4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine
SMILESCCN(C(C)CC(C)(C)OC)C1CCC(N)CC1
InChIInChI=1S/C15H32N2O/c1-6-17(12(2)11-15(3,4)18-5)14-9-7-13(16)8-10-14/h12-14H,6-11,16H2,1-5H3
InChIKeyYGTQCOWIUIHMFF-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.78
Rot. Bonds6

About 4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine (PubChem CID 79115733) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine
PubChem CID79115733
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine
SMILESCCN(C(C)CC(C)(C)OC)C1CCC(N)CC1
InChIInChI=1S/C15H32N2O/c1-6-17(12(2)11-15(3,4)18-5)14-9-7-13(16)8-10-14/h12-14H,6-11,16H2,1-5H3
InChIKeyYGTQCOWIUIHMFF-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine (CID 79115733) is 4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine is CCN(C(C)CC(C)(C)OC)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine?
The InChIKey is YGTQCOWIUIHMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-17(12(2)11-15(3,4)18-5)14-9-7-13(16)8-10-14/h12-14H,6-11,16H2,1-5H3.
What are the key properties of 4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79115733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).