6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine

C16H26N2O — CID 81058338

IUPAC6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
SMILESCCOCCN(C)C1CCCc2ccccc2C1N
InChIInChI=1S/C16H26N2O/c1-3-19-12-11-18(2)15-10-6-8-13-7-4-5-9-14(13)16(15)17/h4-5,7,9,15-16H,3,6,8,10-12,17H2,1-2H3
InChIKeyGPMGVSUVVZVDBM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.36
Rot. Bonds5

About 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine

6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (PubChem CID 81058338) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
PubChem CID81058338
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
SMILESCCOCCN(C)C1CCCc2ccccc2C1N
InChIInChI=1S/C16H26N2O/c1-3-19-12-11-18(2)15-10-6-8-13-7-4-5-9-14(13)16(15)17/h4-5,7,9,15-16H,3,6,8,10-12,17H2,1-2H3
InChIKeyGPMGVSUVVZVDBM-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-N-ethyl-6-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43268680
6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63690691
6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43272852
6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63696126
6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63727365
2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43295683
2-N-ethyl-2-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 61447898
2-N-(2-ethoxyethyl)-1-N-ethyl-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 81059440
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
6-ethylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64614223
2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63980779
6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43127864

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The IUPAC name of 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (CID 81058338) is 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine.
What is the SMILES notation for 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The canonical SMILES for 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine is CCOCCN(C)C1CCCc2ccccc2C1N.
What is the InChIKey of 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The InChIKey is GPMGVSUVVZVDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-12-11-18(2)15-10-6-8-13-7-4-5-9-14(13)16(15)17/h4-5,7,9,15-16H,3,6,8,10-12,17H2,1-2H3.
What are the key properties of 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine is sourced from PubChem (CID 81058338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).