ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine

C21H43N — CID 143699518

IUPACethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine
SMILESC=C(/C=C\N=C(C)C)CCC.CC.CC.CC1CCCCC1
InChIInChI=1S/C10H17N.C7H14.2C2H6/c1-5-6-10(4)7-8-11-9(2)3;1-7-5-3-2-4-6-7;2*1-2/h7-8H,4-6H2,1-3H3;7H,2-6H2,1H3;2*1-2H3/b8-7-;;;
InChIKeyNMGWGEQGUWRUKH-IRYVOTIRSA-N
MW309.58 g/mol
LogP7.98
Rot. Bonds4

About ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine

ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine (PubChem CID 143699518) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine.

Molecular Properties

Compound Nameethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine
PubChem CID143699518
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Nameethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine
SMILESC=C(/C=C\N=C(C)C)CCC.CC.CC.CC1CCCCC1
InChIInChI=1S/C10H17N.C7H14.2C2H6/c1-5-6-10(4)7-8-11-9(2)3;1-7-5-3-2-4-6-7;2*1-2/h7-8H,4-6H2,1-3H3;7H,2-6H2,1H3;2*1-2H3/b8-7-;;;
InChIKeyNMGWGEQGUWRUKH-IRYVOTIRSA-N
XLogP7.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine?
The IUPAC name of ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine (CID 143699518) is ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine.
What is the SMILES notation for ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine?
The canonical SMILES for ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine is C=C(/C=C\N=C(C)C)CCC.CC.CC.CC1CCCCC1.
What is the InChIKey of ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine?
The InChIKey is NMGWGEQGUWRUKH-IRYVOTIRSA-N. The full InChI is InChI=1S/C10H17N.C7H14.2C2H6/c1-5-6-10(4)7-8-11-9(2)3;1-7-5-3-2-4-6-7;2*1-2/h7-8H,4-6H2,1-3H3;7H,2-6H2,1H3;2*1-2H3/b8-7-;;;.
What are the key properties of ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine?
ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine has a molecular weight of 309.58 g/mol, XLogP of 7.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclohexane;N-[(Z)-3-methylidenehex-1-enyl]propan-2-imine is sourced from PubChem (CID 143699518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).