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

C9H16N2 — CID 84763346

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine
SMILESCN1CCC=C(C2(N)CC2)C1
InChIInChI=1S/C9H16N2/c1-11-6-2-3-8(7-11)9(10)4-5-9/h3H,2,4-7,10H2,1H3
InChIKeyZDUCKJQJPVAZNC-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.74
Rot. Bonds1

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

1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine (PubChem CID 84763346) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine
PubChem CID84763346
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine
SMILESCN1CCC=C(C2(N)CC2)C1
InChIInChI=1S/C9H16N2/c1-11-6-2-3-8(7-11)9(10)4-5-9/h3H,2,4-7,10H2,1H3
InChIKeyZDUCKJQJPVAZNC-UHFFFAOYSA-N
XLogP0.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine (CID 84763346) is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine is CN1CCC=C(C2(N)CC2)C1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine?
The InChIKey is ZDUCKJQJPVAZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-11-6-2-3-8(7-11)9(10)4-5-9/h3H,2,4-7,10H2,1H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine?
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)cyclopropan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 0.74, 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)cyclopropan-1-amine is sourced from PubChem (CID 84763346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).