N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine

C16H21N3 — CID 20796100

IUPACN-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine
SMILESCCC=C1C=CN(Cn2ccc(=NCC)cc2)C=C1
InChIInChI=1S/C16H21N3/c1-3-5-15-6-10-18(11-7-15)14-19-12-8-16(9-13-19)17-4-2/h5-13H,3-4,14H2,1-2H3
InChIKeyICHYQWWGWNEGBS-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.05
Rot. Bonds4

About N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine

N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine (PubChem CID 20796100) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine.

Molecular Properties

Compound NameN-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine
PubChem CID20796100
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine
SMILESCCC=C1C=CN(Cn2ccc(=NCC)cc2)C=C1
InChIInChI=1S/C16H21N3/c1-3-5-15-6-10-18(11-7-15)14-19-12-8-16(9-13-19)17-4-2/h5-13H,3-4,14H2,1-2H3
InChIKeyICHYQWWGWNEGBS-UHFFFAOYSA-N
XLogP3.05
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54195578
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2,3-dimethyl-2H-quinazoline
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N-methyl-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine
CID 53800904
5-Methyl-2-methylidene-1-(1-methyl-4-pyridinylidene)pyridin-1-ium
CID 126755559
(1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine
CID 142230850
3-methyl-6-propan-2-yl-2H-quinazoline
CID 143715698
(2Z)-1-ethenyl-4,6-dimethyl-2-(3-methylbut-3-en-2-ylidene)pyrimidine
CID 169871358
(1Z)-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-[[(E)-pent-3-en-2-ylidene]amino]methanamine
CID 173503722
argon;3-methyl-2H-quinazoline
CID 174559439
(2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine
CID 176942070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine?
The IUPAC name of N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine (CID 20796100) is N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine.
What is the SMILES notation for N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine?
The canonical SMILES for N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine is CCC=C1C=CN(Cn2ccc(=NCC)cc2)C=C1.
What is the InChIKey of N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine?
The InChIKey is ICHYQWWGWNEGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-5-15-6-10-18(11-7-15)14-19-12-8-16(9-13-19)17-4-2/h5-13H,3-4,14H2,1-2H3.
What are the key properties of N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine?
N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine has a molecular weight of 255.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine is sourced from PubChem (CID 20796100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).