1-(3,4-dihydropyridin-6-yl)propan-1-imine

C8H12N2 — CID 123412427

IUPAC1-(3,4-dihydropyridin-6-yl)propan-1-imine
SMILES[H]/N=C(\CC)C1=CCCC=N1
InChIInChI=1S/C8H12N2/c1-2-7(9)8-5-3-4-6-10-8/h5-6,9H,2-4H2,1H3/b9-7+
InChIKeyIHPGMBJBYJKBIG-VQHVLOKHSA-N
MW136.20 g/mol
LogP2.16
Rot. Bonds2

About 1-(3,4-dihydropyridin-6-yl)propan-1-imine

1-(3,4-dihydropyridin-6-yl)propan-1-imine (PubChem CID 123412427) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-6-yl)propan-1-imine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-6-yl)propan-1-imine
PubChem CID123412427
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-(3,4-dihydropyridin-6-yl)propan-1-imine
SMILES[H]/N=C(\CC)C1=CCCC=N1
InChIInChI=1S/C8H12N2/c1-2-7(9)8-5-3-4-6-10-8/h5-6,9H,2-4H2,1H3/b9-7+
InChIKeyIHPGMBJBYJKBIG-VQHVLOKHSA-N
XLogP2.16
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.16
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

(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
CID 123539659
3-(3,4-Dihydropyridin-6-yl)propan-1-amine
CID 53823373
6-Propyl-3,4-dihydropyridine
CID 89142722
(3Z)-3-[1-(ethylideneamino)ethylidene]pyridin-4-imine
CID 89712822
1-(3,4-Dihydropyridin-6-yl)ethanimine
CID 90783991
5-Ethylpyrrol-3-imine
CID 118109937
1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine
CID 118301530
(Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine
CID 123358061
2-N-ethylidenepent-1-ene-2,3-diimine
CID 123706333
6-(2,3-Dihydropyridin-6-yl)-3,4-dihydropyridine
CID 123805249
2-Methyl-2,3-dihydropyridin-4-amine
CID 132150288
1-(3,4-dihydropyridin-6-yl)-N-methylprop-2-en-1-imine
CID 135230919

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-6-yl)propan-1-imine?
The IUPAC name of 1-(3,4-dihydropyridin-6-yl)propan-1-imine (CID 123412427) is 1-(3,4-dihydropyridin-6-yl)propan-1-imine.
What is the SMILES notation for 1-(3,4-dihydropyridin-6-yl)propan-1-imine?
The canonical SMILES for 1-(3,4-dihydropyridin-6-yl)propan-1-imine is [H]/N=C(\CC)C1=CCCC=N1.
What is the InChIKey of 1-(3,4-dihydropyridin-6-yl)propan-1-imine?
The InChIKey is IHPGMBJBYJKBIG-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7(9)8-5-3-4-6-10-8/h5-6,9H,2-4H2,1H3/b9-7+.
What are the key properties of 1-(3,4-dihydropyridin-6-yl)propan-1-imine?
1-(3,4-dihydropyridin-6-yl)propan-1-imine has a molecular weight of 136.20 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-6-yl)propan-1-imine is sourced from PubChem (CID 123412427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).