N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine

C16H31NO2 — CID 116765789

IUPACN-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1(OCC)CCOCC1
InChIInChI=1S/C16H31NO2/c1-3-17-15(14-8-6-5-7-9-14)16(19-4-2)10-12-18-13-11-16/h14-15,17H,3-13H2,1-2H3
InChIKeyYAPFZFUPEYIKLS-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds6

About N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine

N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine (PubChem CID 116765789) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
PubChem CID116765789
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1(OCC)CCOCC1
InChIInChI=1S/C16H31NO2/c1-3-17-15(14-8-6-5-7-9-14)16(19-4-2)10-12-18-13-11-16/h14-15,17H,3-13H2,1-2H3
InChIKeyYAPFZFUPEYIKLS-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
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-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 116768886
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
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
[(4-ethoxyoxan-4-yl)-(oxan-4-yl)methyl]hydrazine
CID 105276815
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764131
2-cyclohexyl-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764108

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine (CID 116765789) is N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine is CCNC(C1CCCCC1)C1(OCC)CCOCC1.
What is the InChIKey of N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine?
The InChIKey is YAPFZFUPEYIKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-17-15(14-8-6-5-7-9-14)16(19-4-2)10-12-18-13-11-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine?
N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 116765789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).