(6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine

C12H20N2 — CID 90898811

IUPAC(6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine
SMILES[H]/N=C1\C=CC(C)(CN)C=CC(C)(C)C1
InChIInChI=1S/C12H20N2/c1-11(2)6-7-12(3,9-13)5-4-10(14)8-11/h4-7,14H,8-9,13H2,1-3H3/b5-4?,7-6?,14-10+
InChIKeyHOHOIZPPXQMTFW-JVWSMANWSA-N
MW192.31 g/mol
LogP2.51
Rot. Bonds1

About (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine

(6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine (PubChem CID 90898811) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine.

Molecular Properties

Compound Name(6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine
PubChem CID90898811
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine
SMILES[H]/N=C1\C=CC(C)(CN)C=CC(C)(C)C1
InChIInChI=1S/C12H20N2/c1-11(2)6-7-12(3,9-13)5-4-10(14)8-11/h4-7,14H,8-9,13H2,1-3H3/b5-4?,7-6?,14-10+
InChIKeyHOHOIZPPXQMTFW-JVWSMANWSA-N
XLogP2.51
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine 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

(2Z)-4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine
CID 91254101
2-Tert-butylcyclohexa-2,5-diene-1,4-diimine
CID 91589028
4,4,7,7-Tetramethylcycloocta-2,5-dien-1-imine
CID 123219952
(Z)-4-imino-8,8-dimethylnon-5-en-2-amine
CID 123296105
(E)-(4,4,7,7-tetramethylcycloocta-2,5-dien-1-ylidene)hydrazine
CID 123583253
(Z)-6,6-dimethylhept-3-ene-2,5-diimine
CID 134570447
(Z)-6,6-dimethylhept-2-en-4-imine
CID 169571180

Frequently Asked Questions

What is the IUPAC name of (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine?
The IUPAC name of (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine (CID 90898811) is (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine.
What is the SMILES notation for (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine?
The canonical SMILES for (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine is [H]/N=C1\C=CC(C)(CN)C=CC(C)(C)C1.
What is the InChIKey of (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine?
The InChIKey is HOHOIZPPXQMTFW-JVWSMANWSA-N. The full InChI is InChI=1S/C12H20N2/c1-11(2)6-7-12(3,9-13)5-4-10(14)8-11/h4-7,14H,8-9,13H2,1-3H3/b5-4?,7-6?,14-10+.
What are the key properties of (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine?
(6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine has a molecular weight of 192.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imino-1,4,4-trimethylcycloocta-2,7-dien-1-yl)methanamine is sourced from PubChem (CID 90898811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).