(1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol

C19H33NO — CID 162876325

IUPAC(1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol
SMILESC[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CCNCC[C@@]43C)[C@H]1C[C@H](O)C2
InChIInChI=1S/C19H33NO/c1-18-7-5-16-15(17(18)11-14(21)12-18)4-3-13-6-9-20-10-8-19(13,16)2/h13-17,20-21H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19+/m1/s1
InChIKeySWERVVWWNZOXPV-KEUHKTBPSA-N
MW291.48 g/mol
LogP3.59
Rot. Bonds

About (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol

(1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol (PubChem CID 162876325) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol.

Molecular Properties

Compound Name(1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol
PubChem CID162876325
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol
SMILESC[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CCNCC[C@@]43C)[C@H]1C[C@H](O)C2
InChIInChI=1S/C19H33NO/c1-18-7-5-16-15(17(18)11-14(21)12-18)4-3-13-6-9-20-10-8-19(13,16)2/h13-17,20-21H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19+/m1/s1
InChIKeySWERVVWWNZOXPV-KEUHKTBPSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol with MolForge

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Related Compounds

2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol
CID 625948
(5R,8R,9S,10S,13S,14S,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 11917288
(5R,8R,9R,10S,13R,14R,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 7829981
(3S,5S,8S,9R,10S,13R,14S,16S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 50989077
(8S,9S,10S,13R,14S,16R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 54260042
(3S,5S,8R,9R,10R,13S,16R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
CID 118580569
(3R,5S,6S,8R,9R,10S,13R,14R,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol
CID 125028526
(8S,9R,10S,13R,14S)-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one
CID 57251518
(8S,9S,10S,13R,14S)-1,16-dihydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 21252246
N,N,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-amine
CID 558589
(5S,8R,10R,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 90350243
(3R,5R,8S,9R,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 11877123

Frequently Asked Questions

What is the IUPAC name of (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol?
The IUPAC name of (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol (CID 162876325) is (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol.
What is the SMILES notation for (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol?
The canonical SMILES for (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol is C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CCNCC[C@@]43C)[C@H]1C[C@H](O)C2.
What is the InChIKey of (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol?
The InChIKey is SWERVVWWNZOXPV-KEUHKTBPSA-N. The full InChI is InChI=1S/C19H33NO/c1-18-7-5-16-15(17(18)11-14(21)12-18)4-3-13-6-9-20-10-8-19(13,16)2/h13-17,20-21H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19+/m1/s1.
What are the key properties of (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol?
(1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol has a molecular weight of 291.48 g/mol, XLogP of 3.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8R,11S,12R,14S,16R)-2,16-dimethyl-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-14-ol is sourced from PubChem (CID 162876325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).