(2-ethyl-2,3-dihydropyridin-5-yl)methanamine

C8H14N2 — CID 139334912

IUPAC(2-ethyl-2,3-dihydropyridin-5-yl)methanamine
SMILESCCC1CC=C(CN)C=N1
InChIInChI=1S/C8H14N2/c1-2-8-4-3-7(5-9)6-10-8/h3,6,8H,2,4-5,9H2,1H3
InChIKeyLJUHTPWBIXAPOA-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.12
Rot. Bonds2

About (2-ethyl-2,3-dihydropyridin-5-yl)methanamine

(2-ethyl-2,3-dihydropyridin-5-yl)methanamine (PubChem CID 139334912) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2-ethyl-2,3-dihydropyridin-5-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-2,3-dihydropyridin-5-yl)methanamine
PubChem CID139334912
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2-ethyl-2,3-dihydropyridin-5-yl)methanamine
SMILESCCC1CC=C(CN)C=N1
InChIInChI=1S/C8H14N2/c1-2-8-4-3-7(5-9)6-10-8/h3,6,8H,2,4-5,9H2,1H3
InChIKeyLJUHTPWBIXAPOA-UHFFFAOYSA-N
XLogP1.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2,3-dihydropyridin-5-yl)methanamine?
The IUPAC name of (2-ethyl-2,3-dihydropyridin-5-yl)methanamine (CID 139334912) is (2-ethyl-2,3-dihydropyridin-5-yl)methanamine.
What is the SMILES notation for (2-ethyl-2,3-dihydropyridin-5-yl)methanamine?
The canonical SMILES for (2-ethyl-2,3-dihydropyridin-5-yl)methanamine is CCC1CC=C(CN)C=N1.
What is the InChIKey of (2-ethyl-2,3-dihydropyridin-5-yl)methanamine?
The InChIKey is LJUHTPWBIXAPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-8-4-3-7(5-9)6-10-8/h3,6,8H,2,4-5,9H2,1H3.
What are the key properties of (2-ethyl-2,3-dihydropyridin-5-yl)methanamine?
(2-ethyl-2,3-dihydropyridin-5-yl)methanamine has a molecular weight of 138.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2,3-dihydropyridin-5-yl)methanamine is sourced from PubChem (CID 139334912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).