N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine

C12H15N3 — CID 11367665

IUPACN,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine
SMILESCN(C)C1CC=c2cnn3c2=C1CC=C3
InChIInChI=1S/C12H15N3/c1-14(2)11-6-5-9-8-13-15-7-3-4-10(11)12(9)15/h3,5,7-8,11H,4,6H2,1-2H3
InChIKeyGAQDBGFGDWEYMS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.02
Rot. Bonds1

About N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine

N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine (PubChem CID 11367665) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine
PubChem CID11367665
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine
SMILESCN(C)C1CC=c2cnn3c2=C1CC=C3
InChIInChI=1S/C12H15N3/c1-14(2)11-6-5-9-8-13-15-7-3-4-10(11)12(9)15/h3,5,7-8,11H,4,6H2,1-2H3
InChIKeyGAQDBGFGDWEYMS-UHFFFAOYSA-N
XLogP0.02
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine?
The IUPAC name of N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine (CID 11367665) is N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine.
What is the SMILES notation for N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine?
The canonical SMILES for N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine is CN(C)C1CC=c2cnn3c2=C1CC=C3.
What is the InChIKey of N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine?
The InChIKey is GAQDBGFGDWEYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-14(2)11-6-5-9-8-13-15-7-3-4-10(11)12(9)15/h3,5,7-8,11H,4,6H2,1-2H3.
What are the key properties of N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine?
N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine has a molecular weight of 201.27 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4,8(12),10-tetraen-7-amine is sourced from PubChem (CID 11367665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).