hex-4-en-3-imine

C6H11N — CID 72645017

IUPAChex-4-en-3-imine
SMILES[H]/N=C(/C=CC)CC
InChIInChI=1S/C6H11N/c1-3-5-6(7)4-2/h3,5,7H,4H2,1-2H3/b5-3?,7-6+
InChIKeyPEIOVMITWHSSGX-BDEHTBJLSA-N
MW97.16 g/mol
LogP1.99
Rot. Bonds2

About hex-4-en-3-imine

hex-4-en-3-imine (PubChem CID 72645017) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is hex-4-en-3-imine.

Molecular Properties

Compound Namehex-4-en-3-imine
PubChem CID72645017
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Namehex-4-en-3-imine
SMILES[H]/N=C(/C=CC)CC
InChIInChI=1S/C6H11N/c1-3-5-6(7)4-2/h3,5,7H,4H2,1-2H3/b5-3?,7-6+
InChIKeyPEIOVMITWHSSGX-BDEHTBJLSA-N
XLogP1.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
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 hex-4-en-3-imine?
The IUPAC name of hex-4-en-3-imine (CID 72645017) is hex-4-en-3-imine.
What is the SMILES notation for hex-4-en-3-imine?
The canonical SMILES for hex-4-en-3-imine is [H]/N=C(/C=CC)CC.
What is the InChIKey of hex-4-en-3-imine?
The InChIKey is PEIOVMITWHSSGX-BDEHTBJLSA-N. The full InChI is InChI=1S/C6H11N/c1-3-5-6(7)4-2/h3,5,7H,4H2,1-2H3/b5-3?,7-6+.
What are the key properties of hex-4-en-3-imine?
hex-4-en-3-imine has a molecular weight of 97.16 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-en-3-imine is sourced from PubChem (CID 72645017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).