12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine

C15H17N3 — CID 91112295

IUPAC12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine
SMILESCc1cc(C)c2c(c1)-c1nc(N)ncc1CCC2
InChIInChI=1S/C15H17N3/c1-9-6-10(2)12-5-3-4-11-8-17-15(16)18-14(11)13(12)7-9/h6-8H,3-5H2,1-2H3,(H2,16,17,18)
InChIKeyDMQQZTFOPZBHJL-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.83
Rot. Bonds

About 12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine

12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine (PubChem CID 91112295) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine.

Molecular Properties

Compound Name12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine
PubChem CID91112295
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine
SMILESCc1cc(C)c2c(c1)-c1nc(N)ncc1CCC2
InChIInChI=1S/C15H17N3/c1-9-6-10(2)12-5-3-4-11-8-17-15(16)18-14(11)13(12)7-9/h6-8H,3-5H2,1-2H3,(H2,16,17,18)
InChIKeyDMQQZTFOPZBHJL-UHFFFAOYSA-N
XLogP2.83
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine?
The IUPAC name of 12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine (CID 91112295) is 12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine.
What is the SMILES notation for 12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine?
The canonical SMILES for 12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine is Cc1cc(C)c2c(c1)-c1nc(N)ncc1CCC2.
What is the InChIKey of 12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine?
The InChIKey is DMQQZTFOPZBHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-9-6-10(2)12-5-3-4-11-8-17-15(16)18-14(11)13(12)7-9/h6-8H,3-5H2,1-2H3,(H2,16,17,18).
What are the key properties of 12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine?
12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine is sourced from PubChem (CID 91112295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).