N-ethyl-2,3-dihydropyridin-4-amine

C7H12N2 — CID 142940470

IUPACN-ethyl-2,3-dihydropyridin-4-amine
SMILESCCNC1=CC=NCC1
InChIInChI=1S/C7H12N2/c1-2-9-7-3-5-8-6-4-7/h3,5,9H,2,4,6H2,1H3
InChIKeyOPJRLOOBJYIUDN-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds2

About N-ethyl-2,3-dihydropyridin-4-amine

N-ethyl-2,3-dihydropyridin-4-amine (PubChem CID 142940470) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-ethyl-2,3-dihydropyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dihydropyridin-4-amine
PubChem CID142940470
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-ethyl-2,3-dihydropyridin-4-amine
SMILESCCNC1=CC=NCC1
InChIInChI=1S/C7H12N2/c1-2-9-7-3-5-8-6-4-7/h3,5,9H,2,4,6H2,1H3
InChIKeyOPJRLOOBJYIUDN-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dihydropyridin-4-amine?
The IUPAC name of N-ethyl-2,3-dihydropyridin-4-amine (CID 142940470) is N-ethyl-2,3-dihydropyridin-4-amine.
What is the SMILES notation for N-ethyl-2,3-dihydropyridin-4-amine?
The canonical SMILES for N-ethyl-2,3-dihydropyridin-4-amine is CCNC1=CC=NCC1.
What is the InChIKey of N-ethyl-2,3-dihydropyridin-4-amine?
The InChIKey is OPJRLOOBJYIUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-9-7-3-5-8-6-4-7/h3,5,9H,2,4,6H2,1H3.
What are the key properties of N-ethyl-2,3-dihydropyridin-4-amine?
N-ethyl-2,3-dihydropyridin-4-amine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dihydropyridin-4-amine is sourced from PubChem (CID 142940470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).