(5Z)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

C19H26N2 — CID 19879722

IUPAC(5Z)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCCC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41CC)N2C
InChIInChI=1S/C19H26N2/c1-4-15-18-11-14-13-7-6-10-20-12-19(15,5-2)16(13)8-9-17(14)21(18)3/h6-7,12,15,18H,4-5,8-11H2,1-3H3/b7-6-,20-12-
InChIKeyLEVNLEJNAJIQEO-OJWVMTMBSA-N
MW282.43 g/mol
LogP4.11
Rot. Bonds2

About (5Z)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

(5Z)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (PubChem CID 19879722) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (5Z)-10,16-diethyl-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)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
PubChem CID19879722
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(5Z)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCCC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41CC)N2C
InChIInChI=1S/C19H26N2/c1-4-15-18-11-14-13-7-6-10-20-12-19(15,5-2)16(13)8-9-17(14)21(18)3/h6-7,12,15,18H,4-5,8-11H2,1-3H3/b7-6-,20-12-
InChIKeyLEVNLEJNAJIQEO-OJWVMTMBSA-N
XLogP4.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-10,16-diethyl-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)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (CID 19879722) is (5Z)-10,16-diethyl-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)-10,16-diethyl-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)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is CCC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41CC)N2C.
What is the InChIKey of (5Z)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The InChIKey is LEVNLEJNAJIQEO-OJWVMTMBSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-15-18-11-14-13-7-6-10-20-12-19(15,5-2)16(13)8-9-17(14)21(18)3/h6-7,12,15,18H,4-5,8-11H2,1-3H3/b7-6-,20-12-.
What are the key properties of (5Z)-10,16-diethyl-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
(5Z)-10,16-diethyl-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 282.43 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10,16-diethyl-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 19879722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).