3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine

C18H33NO — CID 66351605

IUPAC3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine
SMILESCNC1CC(OC2CC(C)CC(C)C2)C12CCCCC2
InChIInChI=1S/C18H33NO/c1-13-9-14(2)11-15(10-13)20-17-12-16(19-3)18(17)7-5-4-6-8-18/h13-17,19H,4-12H2,1-3H3
InChIKeyPVQQPTDOISTRJU-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.14
Rot. Bonds3

About 3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine

3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine (PubChem CID 66351605) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine
PubChem CID66351605
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine
SMILESCNC1CC(OC2CC(C)CC(C)C2)C12CCCCC2
InChIInChI=1S/C18H33NO/c1-13-9-14(2)11-15(10-13)20-17-12-16(19-3)18(17)7-5-4-6-8-18/h13-17,19H,4-12H2,1-3H3
InChIKeyPVQQPTDOISTRJU-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine (CID 66351605) is 3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine is CNC1CC(OC2CC(C)CC(C)C2)C12CCCCC2.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine?
The InChIKey is PVQQPTDOISTRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-13-9-14(2)11-15(10-13)20-17-12-16(19-3)18(17)7-5-4-6-8-18/h13-17,19H,4-12H2,1-3H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine?
3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 66351605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).