6,7,7-trimethylcyclohepta-2,5-dien-1-imine

C10H15N — CID 90847674

IUPAC6,7,7-trimethylcyclohepta-2,5-dien-1-imine
SMILES[H]/N=C1\C=CCC=C(C)C1(C)C
InChIInChI=1S/C10H15N/c1-8-6-4-5-7-9(11)10(8,2)3/h5-7,11H,4H2,1-3H3/b11-9+
InChIKeySAJCMSJOJNZYBK-PKNBQFBNSA-N
MW149.24 g/mol
LogP2.94
Rot. Bonds

About 6,7,7-trimethylcyclohepta-2,5-dien-1-imine

6,7,7-trimethylcyclohepta-2,5-dien-1-imine (PubChem CID 90847674) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 6,7,7-trimethylcyclohepta-2,5-dien-1-imine.

Molecular Properties

Compound Name6,7,7-trimethylcyclohepta-2,5-dien-1-imine
PubChem CID90847674
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name6,7,7-trimethylcyclohepta-2,5-dien-1-imine
SMILES[H]/N=C1\C=CCC=C(C)C1(C)C
InChIInChI=1S/C10H15N/c1-8-6-4-5-7-9(11)10(8,2)3/h5-7,11H,4H2,1-3H3/b11-9+
InChIKeySAJCMSJOJNZYBK-PKNBQFBNSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-4,4-dimethylcyclohepta-2,6-dien-1-imine
CID 123673350
5-Dimethyl-2-cyclopentenimine
CID 129719770
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
2,5,5-Trimethylcyclohepta-2,6-dien-1-imine
CID 90693160
3-Methylcyclohepta-2,6-dien-1-imine
CID 90847847
2-Methylhept-2-en-4-imine
CID 91215600
6,6-Dimethylcyclohepta-2,4-dien-1-imine
CID 91267490
2-Methylcyclohepta-2,6-dien-1-imine
CID 91301963
4,4-Dimethylcyclohepta-2,6-dien-1-imine
CID 91362255
6-Tert-butyl-2-methylcyclohepta-2,6-dien-1-imine
CID 91437087
1-Cyclohexa-1,4-dien-1-ylethanimine
CID 91445209

Frequently Asked Questions

What is the IUPAC name of 6,7,7-trimethylcyclohepta-2,5-dien-1-imine?
The IUPAC name of 6,7,7-trimethylcyclohepta-2,5-dien-1-imine (CID 90847674) is 6,7,7-trimethylcyclohepta-2,5-dien-1-imine.
What is the SMILES notation for 6,7,7-trimethylcyclohepta-2,5-dien-1-imine?
The canonical SMILES for 6,7,7-trimethylcyclohepta-2,5-dien-1-imine is [H]/N=C1\C=CCC=C(C)C1(C)C.
What is the InChIKey of 6,7,7-trimethylcyclohepta-2,5-dien-1-imine?
The InChIKey is SAJCMSJOJNZYBK-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15N/c1-8-6-4-5-7-9(11)10(8,2)3/h5-7,11H,4H2,1-3H3/b11-9+.
What are the key properties of 6,7,7-trimethylcyclohepta-2,5-dien-1-imine?
6,7,7-trimethylcyclohepta-2,5-dien-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7-trimethylcyclohepta-2,5-dien-1-imine is sourced from PubChem (CID 90847674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).