3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine

C17H31NO — CID 114342840

IUPAC3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(OC2CCC(C)(C)CC2)C12CCCC2
InChIInChI=1S/C17H31NO/c1-16(2)10-6-13(7-11-16)19-15-12-14(18-3)17(15)8-4-5-9-17/h13-15,18H,4-12H2,1-3H3
InChIKeyGWOPBORBOWPICK-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds3

About 3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine

3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine (PubChem CID 114342840) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine
PubChem CID114342840
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(OC2CCC(C)(C)CC2)C12CCCC2
InChIInChI=1S/C17H31NO/c1-16(2)10-6-13(7-11-16)19-15-12-14(18-3)17(15)8-4-5-9-17/h13-15,18H,4-12H2,1-3H3
InChIKeyGWOPBORBOWPICK-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine (CID 114342840) is 3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine is CNC1CC(OC2CCC(C)(C)CC2)C12CCCC2.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine?
The InChIKey is GWOPBORBOWPICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-16(2)10-6-13(7-11-16)19-15-12-14(18-3)17(15)8-4-5-9-17/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine?
3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine is sourced from PubChem (CID 114342840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).