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

C7H12N2 — CID 152747753

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CC=CCC1
InChIInChI=1S/C7H12N2/c1-7(8)9-5-3-2-4-6-9/h2-3,8H,4-6H2,1H3/b8-7+
InChIKeyXUVBMRNHAPMEGC-BQYQJAHWSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds

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

1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine (PubChem CID 152747753) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine
PubChem CID152747753
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CC=CCC1
InChIInChI=1S/C7H12N2/c1-7(8)9-5-3-2-4-6-9/h2-3,8H,4-6H2,1H3/b8-7+
InChIKeyXUVBMRNHAPMEGC-BQYQJAHWSA-N
XLogP1.25
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 91247425
CID 91247425
1-Methyl-2,3-dihydropyridin-6-imine
CID 20315456
3,6-dihydro-2H-pyridine-1-carboximidamide
CID 19089264
6-Imino-2,3-dihydropyridin-1-amine
CID 53955967
1,5-Dimethyl-2,5-dihydropyridin-6-imine
CID 56607400
N-ethyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56614380
1-Methyl-2,5-dihydropyridin-6-imine
CID 56616795
N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56620788
(1-Methyl-2,5-dihydropyridin-6-ylidene)hydrazine
CID 56628764
N-[1-(3,6-dihydro-2H-pyridin-1-yl)ethylidene]hydroxylamine
CID 57310345
6-Imino-2,5-dihydropyridin-1-amine
CID 57319571
3,6-dihydro-2H-pyridin-1-ylmethanimine
CID 85750766

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine (CID 152747753) is 1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine is [H]/N=C(\C)N1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine?
The InChIKey is XUVBMRNHAPMEGC-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(8)9-5-3-2-4-6-9/h2-3,8H,4-6H2,1H3/b8-7+.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine?
1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)ethanimine is sourced from PubChem (CID 152747753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).