5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine

C13H18N2 — CID 138749946

IUPAC5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine
SMILES[H]/N=C1\C(=C)CC(C)CC2=CC(N)=CCC21
InChIInChI=1S/C13H18N2/c1-8-5-9(2)13(15)12-4-3-11(14)7-10(12)6-8/h3,7-8,12,15H,2,4-6,14H2,1H3/b15-13+
InChIKeyAPUNZAARULBPBT-FYWRMAATSA-N
MW202.30 g/mol
LogP2.78
Rot. Bonds

About 5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine

5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine (PubChem CID 138749946) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine.

Molecular Properties

Compound Name5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine
PubChem CID138749946
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine
SMILES[H]/N=C1\C(=C)CC(C)CC2=CC(N)=CCC21
InChIInChI=1S/C13H18N2/c1-8-5-9(2)13(15)12-4-3-11(14)7-10(12)6-8/h3,7-8,12,15H,2,4-6,14H2,1H3/b15-13+
InChIKeyAPUNZAARULBPBT-FYWRMAATSA-N
XLogP2.78
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine?
The IUPAC name of 5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine (CID 138749946) is 5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine.
What is the SMILES notation for 5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine?
The canonical SMILES for 5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine is [H]/N=C1\C(=C)CC(C)CC2=CC(N)=CCC21.
What is the InChIKey of 5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine?
The InChIKey is APUNZAARULBPBT-FYWRMAATSA-N. The full InChI is InChI=1S/C13H18N2/c1-8-5-9(2)13(15)12-4-3-11(14)7-10(12)6-8/h3,7-8,12,15H,2,4-6,14H2,1H3/b15-13+.
What are the key properties of 5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine?
5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-8-methyl-6-methylidene-4a,7,8,9-tetrahydro-4H-benzo[7]annulen-2-amine is sourced from PubChem (CID 138749946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).