(5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

C15H18N2 — CID 19879738

IUPAC(5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCN1C2=C3CC1CC1/C=N\C/C=C\C3=C1CC2
InChIInChI=1S/C15H18N2/c1-17-11-7-10-9-16-6-2-3-13-12(10)4-5-15(17)14(13)8-11/h2-3,9-11H,4-8H2,1H3/b3-2-,16-9-
InChIKeyYHJUFZKIUSNVJY-USYAOKSRSA-N
MW226.32 g/mol
LogP2.70
Rot. Bonds

About (5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

(5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (PubChem CID 19879738) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.

Molecular Properties

Compound Name(5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
PubChem CID19879738
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCN1C2=C3CC1CC1/C=N\C/C=C\C3=C1CC2
InChIInChI=1S/C15H18N2/c1-17-11-7-10-9-16-6-2-3-13-12(10)4-5-15(17)14(13)8-11/h2-3,9-11H,4-8H2,1H3/b3-2-,16-9-
InChIKeyYHJUFZKIUSNVJY-USYAOKSRSA-N
XLogP2.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The IUPAC name of (5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (CID 19879738) is (5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.
What is the SMILES notation for (5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The canonical SMILES for (5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is CN1C2=C3CC1CC1/C=N\C/C=C\C3=C1CC2.
What is the InChIKey of (5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The InChIKey is YHJUFZKIUSNVJY-USYAOKSRSA-N. The full InChI is InChI=1S/C15H18N2/c1-17-11-7-10-9-16-6-2-3-13-12(10)4-5-15(17)14(13)8-11/h2-3,9-11H,4-8H2,1H3/b3-2-,16-9-.
What are the key properties of (5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
(5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene has a molecular weight of 226.32 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is sourced from PubChem (CID 19879738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).