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Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine

C17H35N — CID 142002778

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine
SMILESC.C/C=N/C=C(\C)CCC.CCC1CCCCC1
InChIInChI=1S/C8H15N.C8H16.CH4/c1-4-6-8(3)7-9-5-2;1-2-8-6-4-3-5-7-8;/h5,7H,4,6H2,1-3H3;8H,2-7H2,1H3;1H4/b8-7+,9-5+;;
InChIKeyGITJWPRIKPSXTA-JWCQZTDMSA-N
MW253.47 g/mol
LogP6.39
Rot. Bonds4

About Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine

Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine (PubChem CID 142002778) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine.

Molecular Properties

Compound NameEthylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine
PubChem CID142002778
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Nameethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine
SMILESC.C/C=N/C=C(\C)CCC.CCC1CCCCC1
InChIInChI=1S/C8H15N.C8H16.CH4/c1-4-6-8(3)7-9-5-2;1-2-8-6-4-3-5-7-8;/h5,7H,4,6H2,1-3H3;8H,2-7H2,1H3;1H4/b8-7+,9-5+;;
InChIKeyGITJWPRIKPSXTA-JWCQZTDMSA-N
XLogP6.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine?
The IUPAC name of Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine (CID 142002778) is ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine.
What is the SMILES notation for Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine?
The canonical SMILES for Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine is C.C/C=N/C=C(\C)CCC.CCC1CCCCC1.
What is the InChIKey of Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine?
The InChIKey is GITJWPRIKPSXTA-JWCQZTDMSA-N. The full InChI is InChI=1S/C8H15N.C8H16.CH4/c1-4-6-8(3)7-9-5-2;1-2-8-6-4-3-5-7-8;/h5,7H,4,6H2,1-3H3;8H,2-7H2,1H3;1H4/b8-7+,9-5+;;.
What are the key properties of Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine?
Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine has a molecular weight of 253.47 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine is sourced from PubChem (CID 142002778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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