5,6-dimethylcyclohept-2-en-1-imine

C9H15N — CID 123283954

IUPAC5,6-dimethylcyclohept-2-en-1-imine
SMILES[H]/N=C1\C=CCC(C)C(C)C1
InChIInChI=1S/C9H15N/c1-7-4-3-5-9(10)6-8(7)2/h3,5,7-8,10H,4,6H2,1-2H3/b10-9+
InChIKeyCXSSYBZMNCQZQA-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.63
Rot. Bonds

About 5,6-dimethylcyclohept-2-en-1-imine

5,6-dimethylcyclohept-2-en-1-imine (PubChem CID 123283954) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5,6-dimethylcyclohept-2-en-1-imine.

Molecular Properties

Compound Name5,6-dimethylcyclohept-2-en-1-imine
PubChem CID123283954
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5,6-dimethylcyclohept-2-en-1-imine
SMILES[H]/N=C1\C=CCC(C)C(C)C1
InChIInChI=1S/C9H15N/c1-7-4-3-5-9(10)6-8(7)2/h3,5,7-8,10H,4,6H2,1-2H3/b10-9+
InChIKeyCXSSYBZMNCQZQA-MDZDMXLPSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.63
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

6-Methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123479377
1-Cyclohexyl-imino-2-butene
CID 129765474
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
2-(2-Methylpropyl)cyclohexa-2,5-diene-1,4-diimine
CID 69932960
6-Methylcyclohex-2-en-1-imine
CID 86188349
5-Methylcyclohex-2-en-1-imine
CID 86188350
4-Methylcyclohex-2-en-1-imine
CID 86188352
1-Cyclohex-3-en-1-ylethanimine
CID 88885301
4-[(Z)-but-2-enyl]cyclohexan-1-imine
CID 89040034
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylcyclohept-2-en-1-imine?
The IUPAC name of 5,6-dimethylcyclohept-2-en-1-imine (CID 123283954) is 5,6-dimethylcyclohept-2-en-1-imine.
What is the SMILES notation for 5,6-dimethylcyclohept-2-en-1-imine?
The canonical SMILES for 5,6-dimethylcyclohept-2-en-1-imine is [H]/N=C1\C=CCC(C)C(C)C1.
What is the InChIKey of 5,6-dimethylcyclohept-2-en-1-imine?
The InChIKey is CXSSYBZMNCQZQA-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-7-4-3-5-9(10)6-8(7)2/h3,5,7-8,10H,4,6H2,1-2H3/b10-9+.
What are the key properties of 5,6-dimethylcyclohept-2-en-1-imine?
5,6-dimethylcyclohept-2-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylcyclohept-2-en-1-imine is sourced from PubChem (CID 123283954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).