3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine

C12H23N3 — CID 57171418

IUPAC3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCC/N=C1\C=CCN(CCCN(C)C)C1
InChIInChI=1S/C12H23N3/c1-4-13-12-7-5-9-15(11-12)10-6-8-14(2)3/h5,7H,4,6,8-11H2,1-3H3/b13-12+
InChIKeyFBTRQZQIFPQCGG-OUKQBFOZSA-N
MW209.34 g/mol
LogP1.27
Rot. Bonds5

About 3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine

3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 57171418) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID57171418
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCC/N=C1\C=CCN(CCCN(C)C)C1
InChIInChI=1S/C12H23N3/c1-4-13-12-7-5-9-15(11-12)10-6-8-14(2)3/h5,7H,4,6,8-11H2,1-3H3/b13-12+
InChIKeyFBTRQZQIFPQCGG-OUKQBFOZSA-N
XLogP1.27
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.27
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

N,N,N',N'-tetramethyl-4-quinonediiminium dication
CID 169616
4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine
CID 18779429
N,N-dibutyl-4-diazocyclohexa-2,5-dien-1-amine
CID 21470631
N-butyl-1-methyl-2,6-dihydropyridin-3-imine
CID 57045078
N,N-dimethyl-1-(2H-pyrrol-5-yl)methanamine
CID 58270096
(4-Methylidenecyclohexa-2,5-dien-1-ylidene)-dipropylazanium
CID 59057566
(4-Aminocyclohexa-2,5-dien-1-ylidene)-diethylazanium
CID 60040659
Cyclohexa-2,5-dien-1-ylidene(diethyl)azanium
CID 68384674
ethyl-[(5Z)-hepta-2,5-dien-4-ylidene]-methylazanium
CID 89961014
6-methyl-1-(6-methyl-2,3-dihydropyridin-5-yl)-2H-pyridine
CID 123200056
1-Methyl-2,6-dihydropyridin-3-imine
CID 123316768
(2,6-Dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium
CID 123346098

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine (CID 57171418) is 3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine is CC/N=C1\C=CCN(CCCN(C)C)C1.
What is the InChIKey of 3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is FBTRQZQIFPQCGG-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-13-12-7-5-9-15(11-12)10-6-8-14(2)3/h5,7H,4,6,8-11H2,1-3H3/b13-12+.
What are the key properties of 3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine?
3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 57171418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).