N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine

C18H21N — CID 22499189

IUPACN-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
SMILESc1ccc(CNC2CCc3ccccc3CC2)cc1
InChIInChI=1S/C18H21N/c1-2-6-15(7-3-1)14-19-18-12-10-16-8-4-5-9-17(16)11-13-18/h1-9,18-19H,10-14H2
InChIKeyDPUYSZJVGFTTMX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.72
Rot. Bonds3

About N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine

N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine (PubChem CID 22499189) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine.

Molecular Properties

Compound NameN-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
PubChem CID22499189
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
SMILESc1ccc(CNC2CCc3ccccc3CC2)cc1
InChIInChI=1S/C18H21N/c1-2-6-15(7-3-1)14-19-18-12-10-16-8-4-5-9-17(16)11-13-18/h1-9,18-19H,10-14H2
InChIKeyDPUYSZJVGFTTMX-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine 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-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The IUPAC name of N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine (CID 22499189) is N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine.
What is the SMILES notation for N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The canonical SMILES for N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine is c1ccc(CNC2CCc3ccccc3CC2)cc1.
What is the InChIKey of N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The InChIKey is DPUYSZJVGFTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-6-15(7-3-1)14-19-18-12-10-16-8-4-5-9-17(16)11-13-18/h1-9,18-19H,10-14H2.
What are the key properties of N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine has a molecular weight of 251.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine is sourced from PubChem (CID 22499189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).