N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine

C18H35NO2 — CID 116768886

IUPACN-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(C1CCOCC1)C1(OCC)CCC(C)(C)CC1
InChIInChI=1S/C18H35NO2/c1-5-19-16(15-7-13-20-14-8-15)18(21-6-2)11-9-17(3,4)10-12-18/h15-16,19H,5-14H2,1-4H3
InChIKeyAUIGUDKBHNZICS-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.77
Rot. Bonds6

About N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine

N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine (PubChem CID 116768886) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
PubChem CID116768886
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(C1CCOCC1)C1(OCC)CCC(C)(C)CC1
InChIInChI=1S/C18H35NO2/c1-5-19-16(15-7-13-20-14-8-15)18(21-6-2)11-9-17(3,4)10-12-18/h15-16,19H,5-14H2,1-4H3
InChIKeyAUIGUDKBHNZICS-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765789
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 116768763
N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769652
[(4-ethoxyoxan-4-yl)-(oxan-4-yl)methyl]hydrazine
CID 105276815
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136933
1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765744
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine (CID 116768886) is N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine is CCNC(C1CCOCC1)C1(OCC)CCC(C)(C)CC1.
What is the InChIKey of N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine?
The InChIKey is AUIGUDKBHNZICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-5-19-16(15-7-13-20-14-8-15)18(21-6-2)11-9-17(3,4)10-12-18/h15-16,19H,5-14H2,1-4H3.
What are the key properties of N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine?
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine has a molecular weight of 297.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 116768886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).