N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine

C11H12N6 — CID 12761313

IUPACN,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine
SMILESCC1=NC2=CC=CC3=NC(N(C)C)=NC(=N1)N23
InChIInChI=1S/C11H12N6/c1-7-12-8-5-4-6-9-14-10(16(2)3)15-11(13-7)17(8)9/h4-6H,1-3H3
InChIKeyDCVDDLYIMFHSHE-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.82
Rot. Bonds

About N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine

N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine (PubChem CID 12761313) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine.

Molecular Properties

Compound NameN,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine
PubChem CID12761313
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC NameN,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine
SMILESCC1=NC2=CC=CC3=NC(N(C)C)=NC(=N1)N23
InChIInChI=1S/C11H12N6/c1-7-12-8-5-4-6-9-14-10(16(2)3)15-11(13-7)17(8)9/h4-6H,1-3H3
InChIKeyDCVDDLYIMFHSHE-UHFFFAOYSA-N
XLogP0.82
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine?
The IUPAC name of N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine (CID 12761313) is N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine.
What is the SMILES notation for N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine?
The canonical SMILES for N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine is CC1=NC2=CC=CC3=NC(N(C)C)=NC(=N1)N23.
What is the InChIKey of N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine?
The InChIKey is DCVDDLYIMFHSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-7-12-8-5-4-6-9-14-10(16(2)3)15-11(13-7)17(8)9/h4-6H,1-3H3.
What are the key properties of N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine?
N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine has a molecular weight of 228.26 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7-trimethyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaen-3-amine is sourced from PubChem (CID 12761313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).