4,4-dimethylcyclohepta-2,6-dien-1-imine

C9H13N — CID 91362255

IUPAC4,4-dimethylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(C)(C)C=C1
InChIInChI=1S/C9H13N/c1-9(2)6-3-4-8(10)5-7-9/h3-5,7,10H,6H2,1-2H3/b10-8+
InChIKeyXVVMFPUVSNXDNH-CSKARUKUSA-N
MW135.21 g/mol
LogP2.55
Rot. Bonds

About 4,4-dimethylcyclohepta-2,6-dien-1-imine

4,4-dimethylcyclohepta-2,6-dien-1-imine (PubChem CID 91362255) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4,4-dimethylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name4,4-dimethylcyclohepta-2,6-dien-1-imine
PubChem CID91362255
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4,4-dimethylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(C)(C)C=C1
InChIInChI=1S/C9H13N/c1-9(2)6-3-4-8(10)5-7-9/h3-5,7,10H,6H2,1-2H3/b10-8+
InChIKeyXVVMFPUVSNXDNH-CSKARUKUSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylcyclohepta-2,6-dien-1-imine
CID 123434300
2-bromo-5,5-dimethylcyclohexa-1,3-diene
CID 101127342
4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine
CID 123219952
(6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium
CID 142810852
5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
CID 175128214
1,3-dimethylcyclohexa-2,4-dien-1-amine
CID 141274277
cyclopentene;5,5-dimethylcyclohexa-1,3-diene
CID 173137560
2,2-dimethyl-1,3-dihydropyridin-6-one
CID 71348150
4,4-dimethylcyclohexa-1,5-diene-1-sulfinic acid
CID 147294365
4,4,7-trimethylcycloundeca-2,6,10-trien-1-one
CID 74348357
1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
CID 67710763
N-(2,3-dimethylpentyl)-4,4-dimethylcyclohexa-1,5-dien-1-amine
CID 167250513

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 4,4-dimethylcyclohepta-2,6-dien-1-imine (CID 91362255) is 4,4-dimethylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 4,4-dimethylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 4,4-dimethylcyclohepta-2,6-dien-1-imine is [H]/N=C1\C=CCC(C)(C)C=C1.
What is the InChIKey of 4,4-dimethylcyclohepta-2,6-dien-1-imine?
The InChIKey is XVVMFPUVSNXDNH-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13N/c1-9(2)6-3-4-8(10)5-7-9/h3-5,7,10H,6H2,1-2H3/b10-8+.
What are the key properties of 4,4-dimethylcyclohepta-2,6-dien-1-imine?
4,4-dimethylcyclohepta-2,6-dien-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 91362255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).