(1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol

C14H23NO — CID 56600816

IUPAC(1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol
SMILESCC1=C[C@H]2CC[C@@H]3[C@@H](C)[C@H](O)[C@H](C)[C@@H](C1)N32
InChIInChI=1S/C14H23NO/c1-8-6-11-4-5-12-9(2)14(16)10(3)13(7-8)15(11)12/h6,9-14,16H,4-5,7H2,1-3H3/t9-,10-,11-,12-,13-,14+/m1/s1
InChIKeyGMWHULVKBSGTDS-UQPQVDFHSA-N
MW221.34 g/mol
LogP2.18
Rot. Bonds

About (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol

(1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol (PubChem CID 56600816) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol.

Molecular Properties

Compound Name(1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol
PubChem CID56600816
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol
SMILESCC1=C[C@H]2CC[C@@H]3[C@@H](C)[C@H](O)[C@H](C)[C@@H](C1)N32
InChIInChI=1S/C14H23NO/c1-8-6-11-4-5-12-9(2)14(16)10(3)13(7-8)15(11)12/h6,9-14,16H,4-5,7H2,1-3H3/t9-,10-,11-,12-,13-,14+/m1/s1
InChIKeyGMWHULVKBSGTDS-UQPQVDFHSA-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'}

Analyze (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-Dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
CID 134946469
(6R,Z)-6-Methyl-7-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)heptane-2,3-diol
CID 91695465
(Z)-9-((5R,8R,8aS)-8-Methyloctahydroindolizin-5-yl)non-5-en-2-ol
CID 91716154
(5R,Z)-5-Methyl-6-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)hexan-2-ol
CID 91721003
(7R,Z)-4,7-Dimethyl-8-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)octan-3-ol
CID 91721005
(6R,Z)-6-Methyl-7-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)heptan-2-ol
CID 91721043
2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)-1-methylpyrrolidine
CID 20387372
5-methyl-6-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)hexan-2-ol
CID 86181485
(1S,5S)-8-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 100662151
8-[(2,6-Dimethylcyclohex-2-en-1-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 121516663
(1S,5S)-8-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 129429735
(1S,5S)-8-[[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 129429736

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol?
The IUPAC name of (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol (CID 56600816) is (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol.
What is the SMILES notation for (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol?
The canonical SMILES for (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol is CC1=C[C@H]2CC[C@@H]3[C@@H](C)[C@H](O)[C@H](C)[C@@H](C1)N32.
What is the InChIKey of (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol?
The InChIKey is GMWHULVKBSGTDS-UQPQVDFHSA-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/h6,9-14,16H,4-5,7H2,1-3H3/t9-,10-,11-,12-,13-,14+/m1/s1.
What are the key properties of (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol?
(1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-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 (1R,4R,5R,6S,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-ol is sourced from PubChem (CID 56600816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).