6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine

C16H19N3 — CID 112555680

IUPAC6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine
SMILESCc1ccc2c(c1)-c1nc3n(c1C2)CC(N)CC3C
InChIInChI=1S/C16H19N3/c1-9-3-4-11-7-14-15(13(11)5-9)18-16-10(2)6-12(17)8-19(14)16/h3-5,10,12H,6-8,17H2,1-2H3
InChIKeyWKCVYYKMLUMURY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.60
Rot. Bonds

About 6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine

6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine (PubChem CID 112555680) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine.

Molecular Properties

Compound Name6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine
PubChem CID112555680
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine
SMILESCc1ccc2c(c1)-c1nc3n(c1C2)CC(N)CC3C
InChIInChI=1S/C16H19N3/c1-9-3-4-11-7-14-15(13(11)5-9)18-16-10(2)6-12(17)8-19(14)16/h3-5,10,12H,6-8,17H2,1-2H3
InChIKeyWKCVYYKMLUMURY-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine?
The IUPAC name of 6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine (CID 112555680) is 6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine.
What is the SMILES notation for 6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine?
The canonical SMILES for 6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine is Cc1ccc2c(c1)-c1nc3n(c1C2)CC(N)CC3C.
What is the InChIKey of 6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine?
The InChIKey is WKCVYYKMLUMURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-9-3-4-11-7-14-15(13(11)5-9)18-16-10(2)6-12(17)8-19(14)16/h3-5,10,12H,6-8,17H2,1-2H3.
What are the key properties of 6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine?
6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dimethyl-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),7,10(15),11,13-pentaen-4-amine is sourced from PubChem (CID 112555680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).