4-methyl-3,4-dihydro-2H-pyridin-5-imine

C6H10N2 — CID 123411107

IUPAC4-methyl-3,4-dihydro-2H-pyridin-5-imine
SMILES[H]/N=C1\C=NCCC1C
InChIInChI=1S/C6H10N2/c1-5-2-3-8-4-6(5)7/h4-5,7H,2-3H2,1H3/b7-6+
InChIKeyUZRRSUQGZBKBSB-VOTSOKGWSA-N
MW110.16 g/mol
LogP1.12
Rot. Bonds

About 4-methyl-3,4-dihydro-2H-pyridin-5-imine

4-methyl-3,4-dihydro-2H-pyridin-5-imine (PubChem CID 123411107) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-methyl-3,4-dihydro-2H-pyridin-5-imine.

Molecular Properties

Compound Name4-methyl-3,4-dihydro-2H-pyridin-5-imine
PubChem CID123411107
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4-methyl-3,4-dihydro-2H-pyridin-5-imine
SMILES[H]/N=C1\C=NCCC1C
InChIInChI=1S/C6H10N2/c1-5-2-3-8-4-6(5)7/h4-5,7H,2-3H2,1H3/b7-6+
InChIKeyUZRRSUQGZBKBSB-VOTSOKGWSA-N
XLogP1.12
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-dihydro-2H-pyridin-5-imine?
The IUPAC name of 4-methyl-3,4-dihydro-2H-pyridin-5-imine (CID 123411107) is 4-methyl-3,4-dihydro-2H-pyridin-5-imine.
What is the SMILES notation for 4-methyl-3,4-dihydro-2H-pyridin-5-imine?
The canonical SMILES for 4-methyl-3,4-dihydro-2H-pyridin-5-imine is [H]/N=C1\C=NCCC1C.
What is the InChIKey of 4-methyl-3,4-dihydro-2H-pyridin-5-imine?
The InChIKey is UZRRSUQGZBKBSB-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-2-3-8-4-6(5)7/h4-5,7H,2-3H2,1H3/b7-6+.
What are the key properties of 4-methyl-3,4-dihydro-2H-pyridin-5-imine?
4-methyl-3,4-dihydro-2H-pyridin-5-imine has a molecular weight of 110.16 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydro-2H-pyridin-5-imine is sourced from PubChem (CID 123411107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).