N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine

C11H16N2 — CID 123977542

IUPACN-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine
SMILESC=C(/C=N/C=CC)C1CC=CCN1
InChIInChI=1S/C11H16N2/c1-3-7-12-9-10(2)11-6-4-5-8-13-11/h3-5,7,9,11,13H,2,6,8H2,1H3/b7-3?,12-9+
InChIKeyASZDPDIMRYJBMQ-PHOGLULASA-N
MW176.26 g/mol
LogP2.07
Rot. Bonds3

About N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine

N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine (PubChem CID 123977542) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine
PubChem CID123977542
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine
SMILESC=C(/C=N/C=CC)C1CC=CCN1
InChIInChI=1S/C11H16N2/c1-3-7-12-9-10(2)11-6-4-5-8-13-11/h3-5,7,9,11,13H,2,6,8H2,1H3/b7-3?,12-9+
InChIKeyASZDPDIMRYJBMQ-PHOGLULASA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
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

[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium
CID 59970359
2-(2,5-Dihydropyridin-4-yl)-1,2-dihydropyridine
CID 68653775
2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine
CID 88905588
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
1,2,8,8a-Tetrahydro-1,6-naphthyridine
CID 91065138
1,2,3,8a-Tetrahydro-1,6-naphthyridine
CID 91608146
6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489361
2,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491784
2-ethyl-6-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118493377
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
5-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyrimidine
CID 124191614
1-(2,5-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-N-methylmethanimine
CID 130182248

Frequently Asked Questions

What is the IUPAC name of N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine?
The IUPAC name of N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine (CID 123977542) is N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine.
What is the SMILES notation for N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine?
The canonical SMILES for N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine is C=C(/C=N/C=CC)C1CC=CCN1.
What is the InChIKey of N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine?
The InChIKey is ASZDPDIMRYJBMQ-PHOGLULASA-N. The full InChI is InChI=1S/C11H16N2/c1-3-7-12-9-10(2)11-6-4-5-8-13-11/h3-5,7,9,11,13H,2,6,8H2,1H3/b7-3?,12-9+.
What are the key properties of N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine?
N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine has a molecular weight of 176.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine is sourced from PubChem (CID 123977542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).