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

C15H30N2O — CID 79115915

IUPAC4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine
SMILESCCC1CC(N(CC)C2CCC(N)CC2)CCO1
InChIInChI=1S/C15H30N2O/c1-3-15-11-14(9-10-18-15)17(4-2)13-7-5-12(16)6-8-13/h12-15H,3-11,16H2,1-2H3
InChIKeyLIYQLPMNBFGJMJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.54
Rot. Bonds4

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

4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine (PubChem CID 79115915) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine
PubChem CID79115915
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine
SMILESCCC1CC(N(CC)C2CCC(N)CC2)CCO1
InChIInChI=1S/C15H30N2O/c1-3-15-11-14(9-10-18-15)17(4-2)13-7-5-12(16)6-8-13/h12-15H,3-11,16H2,1-2H3
InChIKeyLIYQLPMNBFGJMJ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine
CID 79116171
(2R,4R)-2-ethyloxan-4-amine
CID 82651052
1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine
CID 79469660
ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate
CID 126729772
4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79115797
1-[(2S,4S)-2-ethyloxan-4-yl]-1,3-dimethylurea
CID 126729792
2-ethyl-N-methyl-N-(piperidin-3-ylmethyl)oxan-4-amine
CID 106623629
4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine
CID 79120784
3-[cyclopentyl(ethyl)amino]cyclopentan-1-ol
CID 79642890
2-[tert-butyl-(2-ethyloxan-4-yl)amino]acetic acid
CID 79268341
5-ethyloxolan-3-amine
CID 89032290
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine (CID 79115915) is 4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine is CCC1CC(N(CC)C2CCC(N)CC2)CCO1.
What is the InChIKey of 4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine?
The InChIKey is LIYQLPMNBFGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-15-11-14(9-10-18-15)17(4-2)13-7-5-12(16)6-8-13/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.54, 4 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-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79115915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).