ethane;N-methylcyclohex-2-en-1-imine

C9H17N — CID 90847899

IUPACethane;N-methylcyclohex-2-en-1-imine
SMILESC/N=C1/C=CCCC1.CC
InChIInChI=1S/C7H11N.C2H6/c1-8-7-5-3-2-4-6-7;1-2/h3,5H,2,4,6H2,1H3;1-2H3/b8-7-;
InChIKeyRHLUNYUCMMEUDE-CFYXSCKTSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds

About ethane;N-methylcyclohex-2-en-1-imine

ethane;N-methylcyclohex-2-en-1-imine (PubChem CID 90847899) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethane;N-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Nameethane;N-methylcyclohex-2-en-1-imine
PubChem CID90847899
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethane;N-methylcyclohex-2-en-1-imine
SMILESC/N=C1/C=CCCC1.CC
InChIInChI=1S/C7H11N.C2H6/c1-8-7-5-3-2-4-6-7;1-2/h3,5H,2,4,6H2,1H3;1-2H3/b8-7-;
InChIKeyRHLUNYUCMMEUDE-CFYXSCKTSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Nigrifactin
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2-(1-Propenyl)-delta1-piperideine
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6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
Koreenceine A
CID 146683591
6-Ethyl-2,3-dihydropyridine
CID 58693567
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
Cyclohex-2-en-1-ylidene(methyl)azanium
CID 135031019
5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 71531028
6-Penta-1,3-dienyl-2,3,4,5-tetrahydropyridine
CID 198319

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylcyclohex-2-en-1-imine?
The IUPAC name of ethane;N-methylcyclohex-2-en-1-imine (CID 90847899) is ethane;N-methylcyclohex-2-en-1-imine.
What is the SMILES notation for ethane;N-methylcyclohex-2-en-1-imine?
The canonical SMILES for ethane;N-methylcyclohex-2-en-1-imine is C/N=C1/C=CCCC1.CC.
What is the InChIKey of ethane;N-methylcyclohex-2-en-1-imine?
The InChIKey is RHLUNYUCMMEUDE-CFYXSCKTSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-8-7-5-3-2-4-6-7;1-2/h3,5H,2,4,6H2,1H3;1-2H3/b8-7-;.
What are the key properties of ethane;N-methylcyclohex-2-en-1-imine?
ethane;N-methylcyclohex-2-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 90847899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).