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

C20H26N2 — CID 19879718

IUPAC(5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41C)N2CC1CC1
InChIInChI=1S/C20H26N2/c1-13-19-10-16-15-4-3-9-21-12-20(13,2)17(15)7-8-18(16)22(19)11-14-5-6-14/h3-4,12-14,19H,5-11H2,1-2H3/b4-3-,21-12-
InChIKeyDBXFWLWHVDAREV-NPFQSNKDSA-N
MW294.44 g/mol
LogP4.11
Rot. Bonds2

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

(5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (PubChem CID 19879718) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.

Molecular Properties

Compound Name(5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
PubChem CID19879718
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name(5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41C)N2CC1CC1
InChIInChI=1S/C20H26N2/c1-13-19-10-16-15-4-3-9-21-12-20(13,2)17(15)7-8-18(16)22(19)11-14-5-6-14/h3-4,12-14,19H,5-11H2,1-2H3/b4-3-,21-12-
InChIKeyDBXFWLWHVDAREV-NPFQSNKDSA-N
XLogP4.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The IUPAC name of (5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (CID 19879718) is (5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-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-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The canonical SMILES for (5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is CC1C2CC3=C(CCC4=C3/C=C\C/N=C\C41C)N2CC1CC1.
What is the InChIKey of (5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The InChIKey is DBXFWLWHVDAREV-NPFQSNKDSA-N. The full InChI is InChI=1S/C20H26N2/c1-13-19-10-16-15-4-3-9-21-12-20(13,2)17(15)7-8-18(16)22(19)11-14-5-6-14/h3-4,12-14,19H,5-11H2,1-2H3/b4-3-,21-12-.
What are the key properties of (5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
(5Z)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene has a molecular weight of 294.44 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)-15-(cyclopropylmethyl)-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is sourced from PubChem (CID 19879718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).