3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine

C19H29NO — CID 66359116

IUPAC3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
SMILESCNC1CC(Oc2cccc(C)c2C)C12CCCCCC2
InChIInChI=1S/C19H29NO/c1-14-9-8-10-16(15(14)2)21-18-13-17(20-3)19(18)11-6-4-5-7-12-19/h8-10,17-18,20H,4-7,11-13H2,1-3H3
InChIKeyDZPKEARZKLKCSU-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.38
Rot. Bonds3

About 3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine

3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine (PubChem CID 66359116) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
PubChem CID66359116
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
SMILESCNC1CC(Oc2cccc(C)c2C)C12CCCCCC2
InChIInChI=1S/C19H29NO/c1-14-9-8-10-16(15(14)2)21-18-13-17(20-3)19(18)11-6-4-5-7-12-19/h8-10,17-18,20H,4-7,11-13H2,1-3H3
InChIKeyDZPKEARZKLKCSU-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine (CID 66359116) is 3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine is CNC1CC(Oc2cccc(C)c2C)C12CCCCCC2.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine?
The InChIKey is DZPKEARZKLKCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-9-8-10-16(15(14)2)21-18-13-17(20-3)19(18)11-6-4-5-7-12-19/h8-10,17-18,20H,4-7,11-13H2,1-3H3.
What are the key properties of 3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine?
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine is sourced from PubChem (CID 66359116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).