2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane

C9H20N2 — CID 144912202

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane
SMILESCC.NCCN1CC=CCC1
InChIInChI=1S/C7H14N2.C2H6/c8-4-7-9-5-2-1-3-6-9;1-2/h1-2H,3-8H2;1-2H3
InChIKeyVABNXXPEEZHBKQ-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.23
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane

2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane (PubChem CID 144912202) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane
PubChem CID144912202
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane
SMILESCC.NCCN1CC=CCC1
InChIInChI=1S/C7H14N2.C2H6/c8-4-7-9-5-2-1-3-6-9;1-2/h1-2H,3-8H2;1-2H3
InChIKeyVABNXXPEEZHBKQ-UHFFFAOYSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane 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 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane (CID 144912202) is 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane is CC.NCCN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane?
The InChIKey is VABNXXPEEZHBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c8-4-7-9-5-2-1-3-6-9;1-2/h1-2H,3-8H2;1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane?
2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane has a molecular weight of 156.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)ethanamine;ethane is sourced from PubChem (CID 144912202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).