N-propylpent-2-en-1-imine

C8H15N — CID 57277336

IUPACN-propylpent-2-en-1-imine
SMILESCCC=C/C=N/CCC
InChIInChI=1S/C8H15N/c1-3-5-6-8-9-7-4-2/h5-6,8H,3-4,7H2,1-2H3/b6-5?,9-8+
InChIKeyADBJDOCZWBXNEE-WVJVIZISSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds4

About N-propylpent-2-en-1-imine

N-propylpent-2-en-1-imine (PubChem CID 57277336) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-propylpent-2-en-1-imine.

Molecular Properties

Compound NameN-propylpent-2-en-1-imine
PubChem CID57277336
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-propylpent-2-en-1-imine
SMILESCCC=C/C=N/CCC
InChIInChI=1S/C8H15N/c1-3-5-6-8-9-7-4-2/h5-6,8H,3-4,7H2,1-2H3/b6-5?,9-8+
InChIKeyADBJDOCZWBXNEE-WVJVIZISSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyridine
CID 13347754
(Z)-pent-2-en-1-imine
CID 44820632
Azacycloheptadiene
CID 18424402
2-Methyl-2,3-dihydropyridine
CID 21652564
Azahexadiene
CID 53732655
3,3-Dimethylpyridine
CID 129722078
(E)-5-Azahepta-2,4-diene
CID 5463161
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(E)-2-fluoro-N-methylpent-2-en-1-imine
CID 147702126
3-fluoro-3-methyl-2H-pyridine
CID 153958627
(E)-3-fluoro-N-methylpent-2-en-1-imine
CID 156807601
(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
CID 171558229

Frequently Asked Questions

What is the IUPAC name of N-propylpent-2-en-1-imine?
The IUPAC name of N-propylpent-2-en-1-imine (CID 57277336) is N-propylpent-2-en-1-imine.
What is the SMILES notation for N-propylpent-2-en-1-imine?
The canonical SMILES for N-propylpent-2-en-1-imine is CCC=C/C=N/CCC.
What is the InChIKey of N-propylpent-2-en-1-imine?
The InChIKey is ADBJDOCZWBXNEE-WVJVIZISSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-6-8-9-7-4-2/h5-6,8H,3-4,7H2,1-2H3/b6-5?,9-8+.
What are the key properties of N-propylpent-2-en-1-imine?
N-propylpent-2-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylpent-2-en-1-imine is sourced from PubChem (CID 57277336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).