N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C19H31N — CID 63403421

IUPACN-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCCC(C)CC1CCCc2ccccc2C1NCC
InChIInChI=1S/C19H31N/c1-4-9-15(3)14-17-12-8-11-16-10-6-7-13-18(16)19(17)20-5-2/h6-7,10,13,15,17,19-20H,4-5,8-9,11-12,14H2,1-3H3
InChIKeyDANCKUZGAFCEAH-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.12
Rot. Bonds6

About N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63403421) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63403421
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCCC(C)CC1CCCc2ccccc2C1NCC
InChIInChI=1S/C19H31N/c1-4-9-15(3)14-17-12-8-11-16-10-6-7-13-18(16)19(17)20-5-2/h6-7,10,13,15,17,19-20H,4-5,8-9,11-12,14H2,1-3H3
InChIKeyDANCKUZGAFCEAH-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-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-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63403421) is N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCCC(C)CC1CCCc2ccccc2C1NCC.
What is the InChIKey of N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is DANCKUZGAFCEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-9-15(3)14-17-12-8-11-16-10-6-7-13-18(16)19(17)20-5-2/h6-7,10,13,15,17,19-20H,4-5,8-9,11-12,14H2,1-3H3.
What are the key properties of N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 273.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63403421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).