2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine

C14H21N3 — CID 142517657

IUPAC2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine
SMILESC=C(/C=N/C(=C\C)C1=CCCC=N1)CN(C)C
InChIInChI=1S/C14H21N3/c1-5-13(14-8-6-7-9-15-14)16-10-12(2)11-17(3)4/h5,8-10H,2,6-7,11H2,1,3-4H3/b13-5-,16-10+
InChIKeyBPIZLCCDLBCRCS-JPHHCLGMSA-N
MW231.34 g/mol
LogP2.83
Rot. Bonds5

About 2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine

2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine (PubChem CID 142517657) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine
PubChem CID142517657
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine
SMILESC=C(/C=N/C(=C\C)C1=CCCC=N1)CN(C)C
InChIInChI=1S/C14H21N3/c1-5-13(14-8-6-7-9-15-14)16-10-12(2)11-17(3)4/h5,8-10H,2,6-7,11H2,1,3-4H3/b13-5-,16-10+
InChIKeyBPIZLCCDLBCRCS-JPHHCLGMSA-N
XLogP2.83
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3Z,5Z)-4-fluoro-3-methylocta-1,3,5-trien-2-yl]-methyl-prop-2-enylideneazanium
CID 153552729
1,2-Dimethyl-5,7a-dihydropyrrolo[2,3-c]pyridine
CID 54026924
4-diazo-N,N-diethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 54045951
12-Methyl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1(15),2,4,6,8,10-hexaene
CID 57306056
(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine
CID 90152403
3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine
CID 90994728
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane
CID 91202514
5-Methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine
CID 91516061
But-2-en-2-yl-(cyclohexa-1,5-dien-1-ylmethylidene)-methylazanium
CID 91801978
N-[(Z)-(5-methyl-2-methylidene-3-pyridinylidene)methyl]ethanimine
CID 117635473
N-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]ethanimine
CID 117635476
N-methyl-N-[(3-methylidene-2-pyridinylidene)methyl]ethanamine
CID 123177991

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine (CID 142517657) is 2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine is C=C(/C=N/C(=C\C)C1=CCCC=N1)CN(C)C.
What is the InChIKey of 2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine?
The InChIKey is BPIZLCCDLBCRCS-JPHHCLGMSA-N. The full InChI is InChI=1S/C14H21N3/c1-5-13(14-8-6-7-9-15-14)16-10-12(2)11-17(3)4/h5,8-10H,2,6-7,11H2,1,3-4H3/b13-5-,16-10+.
What are the key properties of 2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine?
2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 142517657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).