hept-4-en-3-imine

C7H13N — CID 90869811

IUPAChept-4-en-3-imine
SMILES[H]/N=C(/C=CCC)CC
InChIInChI=1S/C7H13N/c1-3-5-6-7(8)4-2/h5-6,8H,3-4H2,1-2H3/b6-5?,8-7+
InChIKeyHZUKJMNDSLTTDZ-GCSGCOTJSA-N
MW111.19 g/mol
LogP2.38
Rot. Bonds3

About hept-4-en-3-imine

hept-4-en-3-imine (PubChem CID 90869811) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is hept-4-en-3-imine.

Molecular Properties

Compound Namehept-4-en-3-imine
PubChem CID90869811
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Namehept-4-en-3-imine
SMILES[H]/N=C(/C=CCC)CC
InChIInChI=1S/C7H13N/c1-3-5-6-7(8)4-2/h5-6,8H,3-4H2,1-2H3/b6-5?,8-7+
InChIKeyHZUKJMNDSLTTDZ-GCSGCOTJSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.38
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 hept-4-en-3-imine?
The IUPAC name of hept-4-en-3-imine (CID 90869811) is hept-4-en-3-imine.
What is the SMILES notation for hept-4-en-3-imine?
The canonical SMILES for hept-4-en-3-imine is [H]/N=C(/C=CCC)CC.
What is the InChIKey of hept-4-en-3-imine?
The InChIKey is HZUKJMNDSLTTDZ-GCSGCOTJSA-N. The full InChI is InChI=1S/C7H13N/c1-3-5-6-7(8)4-2/h5-6,8H,3-4H2,1-2H3/b6-5?,8-7+.
What are the key properties of hept-4-en-3-imine?
hept-4-en-3-imine has a molecular weight of 111.19 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-4-en-3-imine is sourced from PubChem (CID 90869811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).