N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine

C10H14N2 — CID 123780876

IUPACN-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine
SMILESC=NC1N=CCC=C1CC=CC
InChIInChI=1S/C10H14N2/c1-3-4-6-9-7-5-8-12-10(9)11-2/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyJZNSMFFCSVPNRA-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.38
Rot. Bonds3

About N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine

N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine (PubChem CID 123780876) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine
PubChem CID123780876
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine
SMILESC=NC1N=CCC=C1CC=CC
InChIInChI=1S/C10H14N2/c1-3-4-6-9-7-5-8-12-10(9)11-2/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyJZNSMFFCSVPNRA-UHFFFAOYSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2,5-dihydropyridine
CID 56986892
3,5-Diethyl-2,5-dihydropyridine
CID 57046703
4-Methyl-2,5-dihydropyridin-2-ylium
CID 57104481
3-Methyl-2,5-dihydropyridine
CID 57230847
3-Ethyl-2,5-dihydropyridine
CID 57245959
5-But-3-enyl-4-methyl-2,3-dihydropyridine
CID 70267509
5,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
CID 90924180
3-Butylidene-2,4-dihydropyrrole
CID 91001914
1,4,5,8-Tetrahydroisoquinoline
CID 91803217
N,5-dimethylhex-4-en-1-imine
CID 123748313
N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine
CID 123993782
5-[(Z)-pent-2-enyl]-2,3-dihydropyridine
CID 139498693

Frequently Asked Questions

What is the IUPAC name of N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine?
The IUPAC name of N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine (CID 123780876) is N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine.
What is the SMILES notation for N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine?
The canonical SMILES for N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine is C=NC1N=CCC=C1CC=CC.
What is the InChIKey of N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine?
The InChIKey is JZNSMFFCSVPNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-4-6-9-7-5-8-12-10(9)11-2/h3-4,7-8,10H,2,5-6H2,1H3.
What are the key properties of N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine?
N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine has a molecular weight of 162.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-but-2-enyl-2,5-dihydropyridin-2-yl)methanimine is sourced from PubChem (CID 123780876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).