2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine

C9H17N3 — CID 123382111

IUPAC2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine
SMILES[H]/N=C1\C=CCN(CCN(C)C)C1
InChIInChI=1S/C9H17N3/c1-11(2)6-7-12-5-3-4-9(10)8-12/h3-4,10H,5-8H2,1-2H3/b10-9+
InChIKeyQVAALKVEGMEPAP-MDZDMXLPSA-N
MW167.26 g/mol
LogP0.44
Rot. Bonds3

About 2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine

2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine (PubChem CID 123382111) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine
PubChem CID123382111
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine
SMILES[H]/N=C1\C=CCN(CCN(C)C)C1
InChIInChI=1S/C9H17N3/c1-11(2)6-7-12-5-3-4-9(10)8-12/h3-4,10H,5-8H2,1-2H3/b10-9+
InChIKeyQVAALKVEGMEPAP-MDZDMXLPSA-N
XLogP0.44
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine
CID 18779429
N-butyl-1-methyl-2,6-dihydropyridin-3-imine
CID 57045078
3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine
CID 57171418
4-imino-N,N-dimethylcyclohexa-2,5-dien-1-amine
CID 59831278
(4-Aminocyclohexa-2,5-dien-1-ylidene)-diethylazanium
CID 60040659
2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine
CID 123169571
1-Methyl-2,6-dihydropyridin-3-imine
CID 123316768
(2,6-Dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium
CID 123346098
(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine
CID 123359389
4-(4-Methylpiperazin-1-yl)cyclohepta-2,6-dien-1-imine
CID 123966950
N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 126708180
(E)-N-ethyl-4-imino-N-methylpent-2-en-1-amine
CID 139516172

Frequently Asked Questions

What is the IUPAC name of 2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine (CID 123382111) is 2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine is [H]/N=C1\C=CCN(CCN(C)C)C1.
What is the InChIKey of 2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine?
The InChIKey is QVAALKVEGMEPAP-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N3/c1-11(2)6-7-12-5-3-4-9(10)8-12/h3-4,10H,5-8H2,1-2H3/b10-9+.
What are the key properties of 2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine?
2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine has a molecular weight of 167.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 123382111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).