hex-2-en-1-imine

C6H11N — CID 54277085

IUPAChex-2-en-1-imine
SMILES[H]/N=C/C=CCCC
InChIInChI=1S/C6H11N/c1-2-3-4-5-6-7/h4-7H,2-3H2,1H3/b5-4?,7-6+
InChIKeyRODRXRBCQQPXGZ-VFABXPAXSA-N
MW97.16 g/mol
LogP1.99
Rot. Bonds3

About hex-2-en-1-imine

hex-2-en-1-imine (PubChem CID 54277085) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is hex-2-en-1-imine.

Molecular Properties

Compound Namehex-2-en-1-imine
PubChem CID54277085
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Namehex-2-en-1-imine
SMILES[H]/N=C/C=CCCC
InChIInChI=1S/C6H11N/c1-2-3-4-5-6-7/h4-7H,2-3H2,1H3/b5-4?,7-6+
InChIKeyRODRXRBCQQPXGZ-VFABXPAXSA-N
XLogP1.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-2-en-1-imine?
The IUPAC name of hex-2-en-1-imine (CID 54277085) is hex-2-en-1-imine.
What is the SMILES notation for hex-2-en-1-imine?
The canonical SMILES for hex-2-en-1-imine is [H]/N=C/C=CCCC.
What is the InChIKey of hex-2-en-1-imine?
The InChIKey is RODRXRBCQQPXGZ-VFABXPAXSA-N. The full InChI is InChI=1S/C6H11N/c1-2-3-4-5-6-7/h4-7H,2-3H2,1H3/b5-4?,7-6+.
What are the key properties of hex-2-en-1-imine?
hex-2-en-1-imine has a molecular weight of 97.16 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-en-1-imine is sourced from PubChem (CID 54277085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).