5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine

C11H14N2 — CID 154981857

IUPAC5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine
SMILESNCC1=CCC2C=CC=NC2C=C1
InChIInChI=1S/C11H14N2/c12-8-9-3-5-10-2-1-7-13-11(10)6-4-9/h1-4,6-7,10-11H,5,8,12H2
InChIKeyWFCRPKOVIKOGRF-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.46
Rot. Bonds1

About 5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine

5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine (PubChem CID 154981857) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine.

Molecular Properties

Compound Name5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine
PubChem CID154981857
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine
SMILESNCC1=CCC2C=CC=NC2C=C1
InChIInChI=1S/C11H14N2/c12-8-9-3-5-10-2-1-7-13-11(10)6-4-9/h1-4,6-7,10-11H,5,8,12H2
InChIKeyWFCRPKOVIKOGRF-UHFFFAOYSA-N
XLogP1.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine?
The IUPAC name of 5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine (CID 154981857) is 5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine.
What is the SMILES notation for 5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine?
The canonical SMILES for 5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine is NCC1=CCC2C=CC=NC2C=C1.
What is the InChIKey of 5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine?
The InChIKey is WFCRPKOVIKOGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-8-9-3-5-10-2-1-7-13-11(10)6-4-9/h1-4,6-7,10-11H,5,8,12H2.
What are the key properties of 5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine?
5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine has a molecular weight of 174.25 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9a-dihydro-4aH-cyclohepta[b]pyridin-7-ylmethanamine is sourced from PubChem (CID 154981857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).