4-ethyl-3,6-dihydro-2H-pyridin-1-amine

C7H14N2 — CID 90392512

IUPAC4-ethyl-3,6-dihydro-2H-pyridin-1-amine
SMILESCCC1=CCN(N)CC1
InChIInChI=1S/C7H14N2/c1-2-7-3-5-9(8)6-4-7/h3H,2,4-6,8H2,1H3
InChIKeySOWRJBYOKWQOLK-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.90
Rot. Bonds1

About 4-ethyl-3,6-dihydro-2H-pyridin-1-amine

4-ethyl-3,6-dihydro-2H-pyridin-1-amine (PubChem CID 90392512) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-ethyl-3,6-dihydro-2H-pyridin-1-amine.

Molecular Properties

Compound Name4-ethyl-3,6-dihydro-2H-pyridin-1-amine
PubChem CID90392512
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4-ethyl-3,6-dihydro-2H-pyridin-1-amine
SMILESCCC1=CCN(N)CC1
InChIInChI=1S/C7H14N2/c1-2-7-3-5-9(8)6-4-7/h3H,2,4-6,8H2,1H3
InChIKeySOWRJBYOKWQOLK-UHFFFAOYSA-N
XLogP0.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,6-dihydro-2H-pyridin-1-amine?
The IUPAC name of 4-ethyl-3,6-dihydro-2H-pyridin-1-amine (CID 90392512) is 4-ethyl-3,6-dihydro-2H-pyridin-1-amine.
What is the SMILES notation for 4-ethyl-3,6-dihydro-2H-pyridin-1-amine?
The canonical SMILES for 4-ethyl-3,6-dihydro-2H-pyridin-1-amine is CCC1=CCN(N)CC1.
What is the InChIKey of 4-ethyl-3,6-dihydro-2H-pyridin-1-amine?
The InChIKey is SOWRJBYOKWQOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-7-3-5-9(8)6-4-7/h3H,2,4-6,8H2,1H3.
What are the key properties of 4-ethyl-3,6-dihydro-2H-pyridin-1-amine?
4-ethyl-3,6-dihydro-2H-pyridin-1-amine has a molecular weight of 126.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,6-dihydro-2H-pyridin-1-amine is sourced from PubChem (CID 90392512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).