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

C18H30N2O — CID 63696126

IUPAC6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
SMILESCCOCCN(CC)C1CCCc2ccccc2C1NC
InChIInChI=1S/C18H30N2O/c1-4-20(13-14-21-5-2)17-12-8-10-15-9-6-7-11-16(15)18(17)19-3/h6-7,9,11,17-19H,4-5,8,10,12-14H2,1-3H3
InChIKeyDJDHTYSWCIJXHS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.01
Rot. Bonds7

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

6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (PubChem CID 63696126) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
PubChem CID63696126
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
SMILESCCOCCN(CC)C1CCCc2ccccc2C1NC
InChIInChI=1S/C18H30N2O/c1-4-20(13-14-21-5-2)17-12-8-10-15-9-6-7-11-16(15)18(17)19-3/h6-7,9,11,17-19H,4-5,8,10,12-14H2,1-3H3
InChIKeyDJDHTYSWCIJXHS-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63690691
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 102992408
6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 81058338
5-N-ethyl-6-N,6-N-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63466737
6-N-ethyl-6-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43268680
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 63955358
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
CID 63697025
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
6-(2-cyclopropylethoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106200554
6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 66234040
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 82948042

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The IUPAC name of 6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (CID 63696126) is 6-N-(2-ethoxyethyl)-6-N-ethyl-5-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-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The canonical SMILES for 6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine is CCOCCN(CC)C1CCCc2ccccc2C1NC.
What is the InChIKey of 6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The InChIKey is DJDHTYSWCIJXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20(13-14-21-5-2)17-12-8-10-15-9-6-7-11-16(15)18(17)19-3/h6-7,9,11,17-19H,4-5,8,10,12-14H2,1-3H3.
What are the key properties of 6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.01, 7 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-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine is sourced from PubChem (CID 63696126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).