N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine

C17H28N2 — CID 130183184

IUPACN-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
SMILESC=CCCCN1CC(C=C)=C(N=C)C(CCCC)C1
InChIInChI=1S/C17H28N2/c1-5-8-10-12-19-13-15(7-3)17(18-4)16(14-19)11-9-6-2/h5,7,16H,1,3-4,6,8-14H2,2H3
InChIKeyBNIZEXWFGOFSRH-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.22
Rot. Bonds9

About N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine

N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine (PubChem CID 130183184) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine.

Molecular Properties

Compound NameN-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
PubChem CID130183184
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
SMILESC=CCCCN1CC(C=C)=C(N=C)C(CCCC)C1
InChIInChI=1S/C17H28N2/c1-5-8-10-12-19-13-15(7-3)17(18-4)16(14-19)11-9-6-2/h5,7,16H,1,3-4,6,8-14H2,2H3
InChIKeyBNIZEXWFGOFSRH-UHFFFAOYSA-N
XLogP4.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?
The IUPAC name of N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine (CID 130183184) is N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine.
What is the SMILES notation for N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?
The canonical SMILES for N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine is C=CCCCN1CC(C=C)=C(N=C)C(CCCC)C1.
What is the InChIKey of N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?
The InChIKey is BNIZEXWFGOFSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-8-10-12-19-13-15(7-3)17(18-4)16(14-19)11-9-6-2/h5,7,16H,1,3-4,6,8-14H2,2H3.
What are the key properties of N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine?
N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine has a molecular weight of 260.42 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-5-ethenyl-1-pent-4-enyl-3,6-dihydro-2H-pyridin-4-yl)methanimine is sourced from PubChem (CID 130183184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).