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

C17H28N2 — CID 130182898

IUPACN-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
SMILESC=CC1=C(N=C)C(CCCC)N(C(=C)CCC)CC1
InChIInChI=1S/C17H28N2/c1-6-9-11-16-17(18-5)15(8-3)12-13-19(16)14(4)10-7-2/h8,16H,3-7,9-13H2,1-2H3
InChIKeyVQLICVXKDBMSGH-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.71
Rot. Bonds8

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

N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine (PubChem CID 130182898) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine.

Molecular Properties

Compound NameN-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
PubChem CID130182898
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
SMILESC=CC1=C(N=C)C(CCCC)N(C(=C)CCC)CC1
InChIInChI=1S/C17H28N2/c1-6-9-11-16-17(18-5)15(8-3)12-13-19(16)14(4)10-7-2/h8,16H,3-7,9-13H2,1-2H3
InChIKeyVQLICVXKDBMSGH-UHFFFAOYSA-N
XLogP4.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The IUPAC name of N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine (CID 130182898) is N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine.
What is the SMILES notation for N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The canonical SMILES for N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine is C=CC1=C(N=C)C(CCCC)N(C(=C)CCC)CC1.
What is the InChIKey of N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The InChIKey is VQLICVXKDBMSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-9-11-16-17(18-5)15(8-3)12-13-19(16)14(4)10-7-2/h8,16H,3-7,9-13H2,1-2H3.
What are the key properties of N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine has a molecular weight of 260.42 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine is sourced from PubChem (CID 130182898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).