(1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene

C19H24N2 — CID 11780936

IUPAC(1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene
SMILESC[C@]12CCCC[C@@]13N=N[C@]2(c1ccccc1)[C@@H]1CCC[C@@H]13
InChIInChI=1S/C19H24N2/c1-17-12-5-6-13-18(17)15-10-7-11-16(15)19(17,21-20-18)14-8-3-2-4-9-14/h2-4,8-9,15-16H,5-7,10-13H2,1H3/t15-,16+,17-,18-,19+/m0/s1
InChIKeyHPFZXVCCGPUNFC-XCDZQEORSA-N
MW280.41 g/mol
LogP5.10
Rot. Bonds1

About (1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene

(1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene (PubChem CID 11780936) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene.

Molecular Properties

Compound Name(1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene
PubChem CID11780936
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name(1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene
SMILESC[C@]12CCCC[C@@]13N=N[C@]2(c1ccccc1)[C@@H]1CCC[C@@H]13
InChIInChI=1S/C19H24N2/c1-17-12-5-6-13-18(17)15-10-7-11-16(15)19(17,21-20-18)14-8-3-2-4-9-14/h2-4,8-9,15-16H,5-7,10-13H2,1H3/t15-,16+,17-,18-,19+/m0/s1
InChIKeyHPFZXVCCGPUNFC-XCDZQEORSA-N
XLogP5.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,6S,7R)-1-[(Z)-2-iodoethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 177392545
(1S,2S,6R,7S)-1-ethenyl-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 10587844
(1R,2S,6R,7R)-10,10-dimethyl-1-phenyl-7-thiophen-2-yl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 10663642
(1R,2S,6R,7S)-1-[(Z)-2-bromoethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 10688862
(1R,2S,6R,7S)-1-[(Z)-2-methoxyethenyl]-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 10661647
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CID 94037145
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(3aR,4S,6aS)-4,5-dimethyl-4,6-diphenyl-2,3,3a,6a-tetrahydro-1H-pentalene
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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene?
The IUPAC name of (1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene (CID 11780936) is (1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene.
What is the SMILES notation for (1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene?
The canonical SMILES for (1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene is C[C@]12CCCC[C@@]13N=N[C@]2(c1ccccc1)[C@@H]1CCC[C@@H]13.
What is the InChIKey of (1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene?
The InChIKey is HPFZXVCCGPUNFC-XCDZQEORSA-N. The full InChI is InChI=1S/C19H24N2/c1-17-12-5-6-13-18(17)15-10-7-11-16(15)19(17,21-20-18)14-8-3-2-4-9-14/h2-4,8-9,15-16H,5-7,10-13H2,1H3/t15-,16+,17-,18-,19+/m0/s1.
What are the key properties of (1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene?
(1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene has a molecular weight of 280.41 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene is sourced from PubChem (CID 11780936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).