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

C14H24N2 — CID 145148851

IUPACN-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane
SMILESC=C/C=N/C(=C)C1=NC=CCC1.CC.CC
InChIInChI=1S/C10H12N2.2C2H6/c1-3-7-11-9(2)10-6-4-5-8-12-10;2*1-2/h3,5,7-8H,1-2,4,6H2;2*1-2H3/b11-7+;;
InChIKeyXJBPEOWTEPNKPT-FCVAESPPSA-N
MW220.36 g/mol
LogP4.56
Rot. Bonds3

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

N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane (PubChem CID 145148851) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane.

Molecular Properties

Compound NameN-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane
PubChem CID145148851
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane
SMILESC=C/C=N/C(=C)C1=NC=CCC1.CC.CC
InChIInChI=1S/C10H12N2.2C2H6/c1-3-7-11-9(2)10-6-4-5-8-12-10;2*1-2/h3,5,7-8H,1-2,4,6H2;2*1-2H3/b11-7+;;
InChIKeyXJBPEOWTEPNKPT-FCVAESPPSA-N
XLogP4.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3H-pyridin-4-imine
CID 20520388
2-butyl-2H-imidazo[4,5-c]pyridine
CID 57234190
N-butyl-4H-pyridin-3-imine
CID 67808449
(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
CID 89088417
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine
CID 122545432
4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
CID 123252466
Methyl-(6-methylidene-3,4-dihydropyridin-5-ylidene)-prop-1-enylazanium
CID 123385926
ethane;2-methylidene-4,5-dihydro-3H-pyridine
CID 123994673
(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine
CID 134447867
N-cyclohexyl-3H-pyridin-4-imine
CID 141509932
N-[(Z)-2-(methylideneamino)prop-1-enyl]hexa-1,5-dien-3-imine
CID 141937055
N-hex-1-en-2-ylprop-2-en-1-imine
CID 142562700

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane?
The IUPAC name of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane (CID 145148851) is N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane.
What is the SMILES notation for N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane?
The canonical SMILES for N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane is C=C/C=N/C(=C)C1=NC=CCC1.CC.CC.
What is the InChIKey of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane?
The InChIKey is XJBPEOWTEPNKPT-FCVAESPPSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6/c1-3-7-11-9(2)10-6-4-5-8-12-10;2*1-2/h3,5,7-8H,1-2,4,6H2;2*1-2H3/b11-7+;;.
What are the key properties of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane?
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane has a molecular weight of 220.36 g/mol, XLogP of 4.56, 3 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]prop-2-en-1-imine;ethane is sourced from PubChem (CID 145148851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).