6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine

C16H26N2 — CID 43272852

IUPAC6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
SMILESCCC(C)N(C)C1CCCc2ccccc2C1N
InChIInChI=1S/C16H26N2/c1-4-12(2)18(3)15-11-7-9-13-8-5-6-10-14(13)16(15)17/h5-6,8,10,12,15-16H,4,7,9,11,17H2,1-3H3
InChIKeyFXUZIJQWKZUJAN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds3

About 6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine

6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (PubChem CID 43272852) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine.

Molecular Properties

Compound Name6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
PubChem CID43272852
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
SMILESCCC(C)N(C)C1CCCc2ccccc2C1N
InChIInChI=1S/C16H26N2/c1-4-12(2)18(3)15-11-7-9-13-8-5-6-10-14(13)16(15)17/h5-6,8,10,12,15-16H,4,7,9,11,17H2,1-3H3
InChIKeyFXUZIJQWKZUJAN-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-N-butan-2-yl-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
2-N-methyl-2-N-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43295683
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-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63469910
6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63727365
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 103188495
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
2-N-(2-methylpropyl)-2-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 54999713
6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43183746
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
2-N-cyclopropyl-2-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43264128

Frequently Asked Questions

What is the IUPAC name of 6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The IUPAC name of 6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (CID 43272852) is 6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine.
What is the SMILES notation for 6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The canonical SMILES for 6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine is CCC(C)N(C)C1CCCc2ccccc2C1N.
What is the InChIKey of 6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
The InChIKey is FXUZIJQWKZUJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-12(2)18(3)15-11-7-9-13-8-5-6-10-14(13)16(15)17/h5-6,8,10,12,15-16H,4,7,9,11,17H2,1-3H3.
What are the key properties of 6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine?
6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine is sourced from PubChem (CID 43272852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).