9aH-benzo[7]annulen-5-ylmethanamine

C12H13N — CID 88809253

IUPAC9aH-benzo[7]annulen-5-ylmethanamine
SMILESNCC1=C2C=CC=CC2C=CC=C1
InChIInChI=1S/C12H13N/c13-9-11-7-2-1-5-10-6-3-4-8-12(10)11/h1-8,10H,9,13H2
InChIKeyCGYCDKPDMPRPMI-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.11
Rot. Bonds1

About 9aH-benzo[7]annulen-5-ylmethanamine

9aH-benzo[7]annulen-5-ylmethanamine (PubChem CID 88809253) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 9aH-benzo[7]annulen-5-ylmethanamine.

Molecular Properties

Compound Name9aH-benzo[7]annulen-5-ylmethanamine
PubChem CID88809253
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name9aH-benzo[7]annulen-5-ylmethanamine
SMILESNCC1=C2C=CC=CC2C=CC=C1
InChIInChI=1S/C12H13N/c13-9-11-7-2-1-5-10-6-3-4-8-12(10)11/h1-8,10H,9,13H2
InChIKeyCGYCDKPDMPRPMI-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9aH-benzo[7]annulen-5-ylmethanamine?
The IUPAC name of 9aH-benzo[7]annulen-5-ylmethanamine (CID 88809253) is 9aH-benzo[7]annulen-5-ylmethanamine.
What is the SMILES notation for 9aH-benzo[7]annulen-5-ylmethanamine?
The canonical SMILES for 9aH-benzo[7]annulen-5-ylmethanamine is NCC1=C2C=CC=CC2C=CC=C1.
What is the InChIKey of 9aH-benzo[7]annulen-5-ylmethanamine?
The InChIKey is CGYCDKPDMPRPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c13-9-11-7-2-1-5-10-6-3-4-8-12(10)11/h1-8,10H,9,13H2.
What are the key properties of 9aH-benzo[7]annulen-5-ylmethanamine?
9aH-benzo[7]annulen-5-ylmethanamine has a molecular weight of 171.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9aH-benzo[7]annulen-5-ylmethanamine is sourced from PubChem (CID 88809253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).