1-methyl-3,6-dihydro-2H-pyridin-3-amine

C6H12N2 — CID 140927566

IUPAC1-methyl-3,6-dihydro-2H-pyridin-3-amine
SMILESCN1CC=CC(N)C1
InChIInChI=1S/C6H12N2/c1-8-4-2-3-6(7)5-8/h2-3,6H,4-5,7H2,1H3
InChIKeyLISHXYXQIVEDBZ-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.18
Rot. Bonds

About 1-methyl-3,6-dihydro-2H-pyridin-3-amine

1-methyl-3,6-dihydro-2H-pyridin-3-amine (PubChem CID 140927566) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridin-3-amine.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridin-3-amine
PubChem CID140927566
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-methyl-3,6-dihydro-2H-pyridin-3-amine
SMILESCN1CC=CC(N)C1
InChIInChI=1S/C6H12N2/c1-8-4-2-3-6(7)5-8/h2-3,6H,4-5,7H2,1H3
InChIKeyLISHXYXQIVEDBZ-UHFFFAOYSA-N
XLogP-0.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,6-dihydro-2H-pyridin-3-amine?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridin-3-amine (CID 140927566) is 1-methyl-3,6-dihydro-2H-pyridin-3-amine.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridin-3-amine?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridin-3-amine is CN1CC=CC(N)C1.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridin-3-amine?
The InChIKey is LISHXYXQIVEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-8-4-2-3-6(7)5-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridin-3-amine?
1-methyl-3,6-dihydro-2H-pyridin-3-amine has a molecular weight of 112.18 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridin-3-amine is sourced from PubChem (CID 140927566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).