3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine

C19H35NO — CID 65169715

IUPAC3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCC2CCC(C)CC2)C12CCCCC2
InChIInChI=1S/C19H35NO/c1-3-21-18-13-17(19(18)11-5-4-6-12-19)20-14-16-9-7-15(2)8-10-16/h15-18,20H,3-14H2,1-2H3
InChIKeyCQJKRIVAWUIVBV-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.53
Rot. Bonds5

About 3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine

3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine (PubChem CID 65169715) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine
PubChem CID65169715
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCC2CCC(C)CC2)C12CCCCC2
InChIInChI=1S/C19H35NO/c1-3-21-18-13-17(19(18)11-5-4-6-12-19)20-14-16-9-7-15(2)8-10-16/h15-18,20H,3-14H2,1-2H3
InChIKeyCQJKRIVAWUIVBV-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(thian-4-ylmethyl)spiro[3.3]heptan-1-amine
CID 115905767
N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine
CID 66359603
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864239
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 103922024

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine (CID 65169715) is 3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine is CCOC1CC(NCC2CCC(C)CC2)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine?
The InChIKey is CQJKRIVAWUIVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-3-21-18-13-17(19(18)11-5-4-6-12-19)20-14-16-9-7-15(2)8-10-16/h15-18,20H,3-14H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine?
3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine has a molecular weight of 293.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).