N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine

C18H33NO — CID 66359603

IUPACN-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine
SMILESCCNC1CC(OC2CCC(C)CC2)C12CCCCC2
InChIInChI=1S/C18H33NO/c1-3-19-16-13-17(18(16)11-5-4-6-12-18)20-15-9-7-14(2)8-10-15/h14-17,19H,3-13H2,1-2H3
InChIKeyVDVDYJVIVKLODZ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds4

About N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine

N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine (PubChem CID 66359603) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine
PubChem CID66359603
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine
SMILESCCNC1CC(OC2CCC(C)CC2)C12CCCCC2
InChIInChI=1S/C18H33NO/c1-3-19-16-13-17(18(16)11-5-4-6-12-18)20-15-9-7-14(2)8-10-15/h14-17,19H,3-13H2,1-2H3
InChIKeyVDVDYJVIVKLODZ-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyloxy-N-ethylspiro[3.5]nonan-1-amine
CID 66358779
N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine
CID 66357175
3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine
CID 65169715
N-ethyl-3-heptoxyspiro[3.6]decan-1-amine
CID 66357419
N-ethyl-3-pentoxyspiro[3.4]octan-1-amine
CID 66356663
N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine
CID 66357172
N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine
CID 66359457
3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine
CID 66351605
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958075
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.6]decan-1-amine
CID 82956691
N-ethyl-3-(4-methylpentoxy)spiro[3.5]nonan-1-amine
CID 66358237
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine
CID 106451100

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine (CID 66359603) is N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine is CCNC1CC(OC2CCC(C)CC2)C12CCCCC2.
What is the InChIKey of N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine?
The InChIKey is VDVDYJVIVKLODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-19-16-13-17(18(16)11-5-4-6-12-18)20-15-9-7-14(2)8-10-15/h14-17,19H,3-13H2,1-2H3.
What are the key properties of N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine?
N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 66359603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).