1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine

C8H14N2 — CID 177225549

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
SMILES[H]/N=C(\C)C1=CCCN(C)C1
InChIInChI=1S/C8H14N2/c1-7(9)8-4-3-5-10(2)6-8/h4,9H,3,5-6H2,1-2H3/b9-7+
InChIKeyAGVAVZBEUSWICO-VQHVLOKHSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds1

About 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine

1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine (PubChem CID 177225549) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
PubChem CID177225549
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
SMILES[H]/N=C(\C)C1=CCCN(C)C1
InChIInChI=1S/C8H14N2/c1-7(9)8-4-3-5-10(2)6-8/h4,9H,3,5-6H2,1-2H3/b9-7+
InChIKeyAGVAVZBEUSWICO-VQHVLOKHSA-N
XLogP1.29
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
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

1-(1-Methyl-1,2,5,6-tetrahydro-3-pyridinyl)ethanone oxime
CID 71440410
1-(1-Methyl-1,2,5,6-tetrahydro-3-pyridinyl)ethanone oxime hydrochloride
CID 129817997
(NE)-N-[1-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
CID 14330051
(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
CID 15598786
N-[(E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino]oxypropan-1-amine
CID 20159014
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino]oxypropan-1-amine
CID 53822876
N-[1-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
CID 72730029
1-Methyl-2,6-dihydropyridin-3-imine
CID 123316768
4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine
CID 123446877
(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 130413541
(Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine
CID 146392550
(5-Methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine
CID 159281232

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine (CID 177225549) is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine is [H]/N=C(\C)C1=CCCN(C)C1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The InChIKey is AGVAVZBEUSWICO-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(9)8-4-3-5-10(2)6-8/h4,9H,3,5-6H2,1-2H3/b9-7+.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine has a molecular weight of 138.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine is sourced from PubChem (CID 177225549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).