N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine

C8H12N2 — CID 174022081

IUPACN-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine
SMILESCC=NC1=C(C)C=CCN1
InChIInChI=1S/C8H12N2/c1-3-9-8-7(2)5-4-6-10-8/h3-5,10H,6H2,1-2H3
InChIKeyZQSYXILMZRKDBO-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.47
Rot. Bonds1

About N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine

N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine (PubChem CID 174022081) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine.

Molecular Properties

Compound NameN-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine
PubChem CID174022081
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine
SMILESCC=NC1=C(C)C=CCN1
InChIInChI=1S/C8H12N2/c1-3-9-8-7(2)5-4-6-10-8/h3-5,10H,6H2,1-2H3
InChIKeyZQSYXILMZRKDBO-UHFFFAOYSA-N
XLogP1.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-N-methyl-5-methylidene-6-(3-methylidene-2-pyridinylidene)pyridin-3-amine
CID 123941426
6-Methyl-3,4,5,6-tetrahydropyrido[2,3-b]pyrazine
CID 124142714
2,8a-dihydro-1H-1,8-naphthyridine
CID 138598725
4-Methyl-1,8a-dihydro-1,8-naphthyridine
CID 141834232
(2Z)-5-methyl-2-(4-methylcyclohepta-2,4,6-trien-1-ylidene)-1H-pyrimidine
CID 141985325
(2Z)-5-methyl-2-(4-methylcyclohepta-2,4,6-trien-1-ylidene)-5,6-dihydro-1H-pyrimidine
CID 141985331
ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine
CID 142302140
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
CID 143838514
2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine
CID 144745986
(1Z,3E)-2-[(Z)-but-1-enyl]-1-[(Z)-ethylideneamino]-N,3-dimethylhepta-1,3-dien-1-amine;ethane
CID 145017821
(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane
CID 145017836
ethane;(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine
CID 145017874

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine?
The IUPAC name of N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine (CID 174022081) is N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine.
What is the SMILES notation for N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine?
The canonical SMILES for N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine is CC=NC1=C(C)C=CCN1.
What is the InChIKey of N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine?
The InChIKey is ZQSYXILMZRKDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-9-8-7(2)5-4-6-10-8/h3-5,10H,6H2,1-2H3.
What are the key properties of N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine?
N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine has a molecular weight of 136.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-dihydropyridin-6-yl)ethanimine is sourced from PubChem (CID 174022081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).