2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine

C13H18N2 — CID 758509

IUPAC2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine
SMILESNc1c2c(nc3c1CCC3)CCCCC2
InChIInChI=1S/C13H18N2/c14-13-9-5-2-1-3-7-11(9)15-12-8-4-6-10(12)13/h1-8H2,(H2,14,15)
InChIKeyKBQCZWASJBYBSK-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.42
Rot. Bonds

About 2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine

2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine (PubChem CID 758509) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine.

Molecular Properties

Compound Name2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine
PubChem CID758509
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine
SMILESNc1c2c(nc3c1CCC3)CCCCC2
InChIInChI=1S/C13H18N2/c14-13-9-5-2-1-3-7-11(9)15-12-8-4-6-10(12)13/h1-8H2,(H2,14,15)
InChIKeyKBQCZWASJBYBSK-UHFFFAOYSA-N
XLogP2.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine?
The IUPAC name of 2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine (CID 758509) is 2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine.
What is the SMILES notation for 2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine?
The canonical SMILES for 2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine is Nc1c2c(nc3c1CCC3)CCCCC2.
What is the InChIKey of 2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine?
The InChIKey is KBQCZWASJBYBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-13-9-5-2-1-3-7-11(9)15-12-8-4-6-10(12)13/h1-8H2,(H2,14,15).
What are the key properties of 2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine?
2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine has a molecular weight of 202.30 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,7-trien-8-amine is sourced from PubChem (CID 758509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).