5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol

C14H23NO — CID 134946469

IUPAC5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
SMILESC=C1CC2CCC3C(C)C(O)C(C)C(C1)N23
InChIInChI=1S/C14H23NO/c1-8-6-11-4-5-12-9(2)14(16)10(3)13(7-8)15(11)12/h9-14,16H,1,4-7H2,2-3H3
InChIKeyPAXUKDQOPOILGE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.18
Rot. Bonds

About 5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol

5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol (PubChem CID 134946469) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol.

Molecular Properties

Compound Name5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
PubChem CID134946469
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
SMILESC=C1CC2CCC3C(C)C(O)C(C)C(C1)N23
InChIInChI=1S/C14H23NO/c1-8-6-11-4-5-12-9(2)14(16)10(3)13(7-8)15(11)12/h9-14,16H,1,4-7H2,2-3H3
InChIKeyPAXUKDQOPOILGE-UHFFFAOYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
CID 78079576
(1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol
CID 56600816
(1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
CID 71473171

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol?
The IUPAC name of 5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol (CID 134946469) is 5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol.
What is the SMILES notation for 5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol?
The canonical SMILES for 5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol is C=C1CC2CCC3C(C)C(O)C(C)C(C1)N23.
What is the InChIKey of 5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol?
The InChIKey is PAXUKDQOPOILGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-8-6-11-4-5-12-9(2)14(16)10(3)13(7-8)15(11)12/h9-14,16H,1,4-7H2,2-3H3.
What are the key properties of 5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol?
5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol has a molecular weight of 221.34 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol is sourced from PubChem (CID 134946469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).