(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine

C8H16N2 — CID 10351787

IUPAC(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
SMILESCCN1CCC=C(CN)C1
InChIInChI=1S/C8H16N2/c1-2-10-5-3-4-8(6-9)7-10/h4H,2-3,5-7,9H2,1H3
InChIKeyAKWAPUZJMYZEJA-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.60
Rot. Bonds2

About (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine

(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine (PubChem CID 10351787) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
PubChem CID10351787
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
SMILESCCN1CCC=C(CN)C1
InChIInChI=1S/C8H16N2/c1-2-10-5-3-4-8(6-9)7-10/h4H,2-3,5-7,9H2,1H3
InChIKeyAKWAPUZJMYZEJA-UHFFFAOYSA-N
XLogP0.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine 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-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The IUPAC name of (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine (CID 10351787) is (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine.
What is the SMILES notation for (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The canonical SMILES for (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine is CCN1CCC=C(CN)C1.
What is the InChIKey of (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The InChIKey is AKWAPUZJMYZEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-10-5-3-4-8(6-9)7-10/h4H,2-3,5-7,9H2,1H3.
What are the key properties of (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine has a molecular weight of 140.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanamine is sourced from PubChem (CID 10351787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).