bis[(2Z)-2-propylidene-1-pyridinyl]methanimine

C17H21N3 — CID 143497235

IUPACbis[(2Z)-2-propylidene-1-pyridinyl]methanimine
SMILES[H]N=C(N1C=CC=C/C1=C/CC)N1C=CC=C/C1=C/CC
InChIInChI=1S/C17H21N3/c1-3-9-15-11-5-7-13-19(15)17(18)20-14-8-6-12-16(20)10-4-2/h5-14,18H,3-4H2,1-2H3/b15-9-,16-10-
InChIKeyLEFIDSOKSPFPFQ-VULZFCBJSA-N
MW267.38 g/mol
LogP4.28
Rot. Bonds2

About bis[(2Z)-2-propylidene-1-pyridinyl]methanimine

bis[(2Z)-2-propylidene-1-pyridinyl]methanimine (PubChem CID 143497235) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is bis[(2Z)-2-propylidene-1-pyridinyl]methanimine.

Molecular Properties

Compound Namebis[(2Z)-2-propylidene-1-pyridinyl]methanimine
PubChem CID143497235
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Namebis[(2Z)-2-propylidene-1-pyridinyl]methanimine
SMILES[H]N=C(N1C=CC=C/C1=C/CC)N1C=CC=C/C1=C/CC
InChIInChI=1S/C17H21N3/c1-3-9-15-11-5-7-13-19(15)17(18)20-14-8-6-12-16(20)10-4-2/h5-14,18H,3-4H2,1-2H3/b15-9-,16-10-
InChIKeyLEFIDSOKSPFPFQ-VULZFCBJSA-N
XLogP4.28
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[(3E,5Z)-octa-1,3,5-trien-3-yl]guanidine
CID 89328680
[(2E)-2-butylidene-1-pyridinyl]methanimine
CID 174321614
carbanide;N-[(Z)-2-(N-methylanilino)ethenyl]-N-(2-methylbenzene-6-id-1-yl)methanimidamide;praseodymium
CID 178082439
1-Carbamimidoyl-3-cyclopenta-1,4-dien-1-yl-1,3-dimethylguanidine
CID 157260453

Frequently Asked Questions

What is the IUPAC name of bis[(2Z)-2-propylidene-1-pyridinyl]methanimine?
The IUPAC name of bis[(2Z)-2-propylidene-1-pyridinyl]methanimine (CID 143497235) is bis[(2Z)-2-propylidene-1-pyridinyl]methanimine.
What is the SMILES notation for bis[(2Z)-2-propylidene-1-pyridinyl]methanimine?
The canonical SMILES for bis[(2Z)-2-propylidene-1-pyridinyl]methanimine is [H]N=C(N1C=CC=C/C1=C/CC)N1C=CC=C/C1=C/CC.
What is the InChIKey of bis[(2Z)-2-propylidene-1-pyridinyl]methanimine?
The InChIKey is LEFIDSOKSPFPFQ-VULZFCBJSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-9-15-11-5-7-13-19(15)17(18)20-14-8-6-12-16(20)10-4-2/h5-14,18H,3-4H2,1-2H3/b15-9-,16-10-.
What are the key properties of bis[(2Z)-2-propylidene-1-pyridinyl]methanimine?
bis[(2Z)-2-propylidene-1-pyridinyl]methanimine has a molecular weight of 267.38 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2Z)-2-propylidene-1-pyridinyl]methanimine is sourced from PubChem (CID 143497235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).