N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene

C13H22N2 — CID 143157754

IUPACN-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene
SMILESC=CC.C=NC(=C)C1=NC=CCC1.CC
InChIInChI=1S/C8H10N2.C3H6.C2H6/c1-7(9-2)8-5-3-4-6-10-8;1-3-2;1-2/h4,6H,1-3,5H2;3H,1H2,2H3;1-2H3
InChIKeyDISGTNJRSHTGOO-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.17
Rot. Bonds2

About N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene

N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene (PubChem CID 143157754) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene.

Molecular Properties

Compound NameN-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene
PubChem CID143157754
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene
SMILESC=CC.C=NC(=C)C1=NC=CCC1.CC
InChIInChI=1S/C8H10N2.C3H6.C2H6/c1-7(9-2)8-5-3-4-6-10-8;1-3-2;1-2/h4,6H,1-3,5H2;3H,1H2,2H3;1-2H3
InChIKeyDISGTNJRSHTGOO-UHFFFAOYSA-N
XLogP4.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.17
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

2-butyl-2H-imidazo[4,5-c]pyridine
CID 57234190
N-butyl-4H-pyridin-3-imine
CID 67808449
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine
CID 122545432
Methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium
CID 123385926
N-[(2-methyl-3-methylidene-4-pyridinylidene)methyl]methanimine
CID 123822051
(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine
CID 134447867
N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine
CID 141937055
ethane;N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine
CID 142569943
Ethane;2-methyl-3,4-dihydropyridine
CID 144136839
(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine;ethane;ethene
CID 144163518
(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine;ethane;ethene
CID 144163519
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]-4,4-dimethylpent-1-en-3-imine
CID 144228400

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene?
The IUPAC name of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene (CID 143157754) is N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene.
What is the SMILES notation for N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene?
The canonical SMILES for N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene is C=CC.C=NC(=C)C1=NC=CCC1.CC.
What is the InChIKey of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene?
The InChIKey is DISGTNJRSHTGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C3H6.C2H6/c1-7(9-2)8-5-3-4-6-10-8;1-3-2;1-2/h4,6H,1-3,5H2;3H,1H2,2H3;1-2H3.
What are the key properties of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene?
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene has a molecular weight of 206.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydropyridin-2-yl)ethenyl]methanimine;ethane;prop-1-ene is sourced from PubChem (CID 143157754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).