N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine

C16H23N — CID 140988651

IUPACN-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1=Cc2ccccc2CCC1
InChIInChI=1S/C16H23N/c1-3-17(4-2)13-14-8-7-11-15-9-5-6-10-16(15)12-14/h5-6,9-10,12H,3-4,7-8,11,13H2,1-2H3
InChIKeyGAVMQUMVDYKFOG-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.75
Rot. Bonds4

About N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine

N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine (PubChem CID 140988651) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine
PubChem CID140988651
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1=Cc2ccccc2CCC1
InChIInChI=1S/C16H23N/c1-3-17(4-2)13-14-8-7-11-15-9-5-6-10-16(15)12-14/h5-6,9-10,12H,3-4,7-8,11,13H2,1-2H3
InChIKeyGAVMQUMVDYKFOG-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine?
The IUPAC name of N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine (CID 140988651) is N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine.
What is the SMILES notation for N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine?
The canonical SMILES for N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine is CCN(CC)CC1=Cc2ccccc2CCC1.
What is the InChIKey of N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine?
The InChIKey is GAVMQUMVDYKFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-17(4-2)13-14-8-7-11-15-9-5-6-10-16(15)12-14/h5-6,9-10,12H,3-4,7-8,11,13H2,1-2H3.
What are the key properties of N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine?
N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine has a molecular weight of 229.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-N-ethylethanamine is sourced from PubChem (CID 140988651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).