(2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol

C19H31NO2 — CID 162024402

IUPAC(2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol
SMILESC[C@H]1CCC2C3C(O)CC4=C[C@@H](O)CC[C@]4(C)C3NC[C@@]21C
InChIInChI=1S/C19H31NO2/c1-11-4-5-14-16-15(22)9-12-8-13(21)6-7-18(12,2)17(16)20-10-19(11,14)3/h8,11,13-17,20-22H,4-7,9-10H2,1-3H3/t11-,13-,14?,15?,16?,17?,18-,19+/m0/s1
InChIKeyRDMOIYYQSCBQSV-ZGCLUXRNSA-N
MW305.46 g/mol
LogP2.48
Rot. Bonds

About (2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol

(2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol (PubChem CID 162024402) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol.

Molecular Properties

Compound Name(2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol
PubChem CID162024402
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol
SMILESC[C@H]1CCC2C3C(O)CC4=C[C@@H](O)CC[C@]4(C)C3NC[C@@]21C
InChIInChI=1S/C19H31NO2/c1-11-4-5-14-16-15(22)9-12-8-13(21)6-7-18(12,2)17(16)20-10-19(11,14)3/h8,11,13-17,20-22H,4-7,9-10H2,1-3H3/t11-,13-,14?,15?,16?,17?,18-,19+/m0/s1
InChIKeyRDMOIYYQSCBQSV-ZGCLUXRNSA-N
XLogP2.48
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol?
The IUPAC name of (2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol (CID 162024402) is (2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol.
What is the SMILES notation for (2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol?
The canonical SMILES for (2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol is C[C@H]1CCC2C3C(O)CC4=C[C@@H](O)CC[C@]4(C)C3NC[C@@]21C.
What is the InChIKey of (2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol?
The InChIKey is RDMOIYYQSCBQSV-ZGCLUXRNSA-N. The full InChI is InChI=1S/C19H31NO2/c1-11-4-5-14-16-15(22)9-12-8-13(21)6-7-18(12,2)17(16)20-10-19(11,14)3/h8,11,13-17,20-22H,4-7,9-10H2,1-3H3/t11-,13-,14?,15?,16?,17?,18-,19+/m0/s1.
What are the key properties of (2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol?
(2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol has a molecular weight of 305.46 g/mol, XLogP of 2.48, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,14S,15R)-2,14,15-trimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,9-diol is sourced from PubChem (CID 162024402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).