N-[(Z)-hex-4-enyl]methanimine

C7H13N — CID 154516605

IUPACN-[(Z)-hex-4-enyl]methanimine
SMILESC=NCCC/C=C\C
InChIInChI=1S/C7H13N/c1-3-4-5-6-7-8-2/h3-4H,2,5-7H2,1H3/b4-3-
InChIKeyXTPJWFPIPIFVHW-ARJAWSKDSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds4

About N-[(Z)-hex-4-enyl]methanimine

N-[(Z)-hex-4-enyl]methanimine (PubChem CID 154516605) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-[(Z)-hex-4-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-hex-4-enyl]methanimine
PubChem CID154516605
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-[(Z)-hex-4-enyl]methanimine
SMILESC=NCCC/C=C\C
InChIInChI=1S/C7H13N/c1-3-4-5-6-7-8-2/h3-4H,2,5-7H2,1H3/b4-3-
InChIKeyXTPJWFPIPIFVHW-ARJAWSKDSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-4-enyl]methanimine?
The IUPAC name of N-[(Z)-hex-4-enyl]methanimine (CID 154516605) is N-[(Z)-hex-4-enyl]methanimine.
What is the SMILES notation for N-[(Z)-hex-4-enyl]methanimine?
The canonical SMILES for N-[(Z)-hex-4-enyl]methanimine is C=NCCC/C=C\C.
What is the InChIKey of N-[(Z)-hex-4-enyl]methanimine?
The InChIKey is XTPJWFPIPIFVHW-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H13N/c1-3-4-5-6-7-8-2/h3-4H,2,5-7H2,1H3/b4-3-.
What are the key properties of N-[(Z)-hex-4-enyl]methanimine?
N-[(Z)-hex-4-enyl]methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-4-enyl]methanimine is sourced from PubChem (CID 154516605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).