N-(1,2-dihydropyridin-6-ylmethyl)ethanamine

C8H14N2 — CID 89302557

IUPACN-(1,2-dihydropyridin-6-ylmethyl)ethanamine
SMILESCCNCC1=CC=CCN1
InChIInChI=1S/C8H14N2/c1-2-9-7-8-5-3-4-6-10-8/h3-5,9-10H,2,6-7H2,1H3
InChIKeyLTBRCESAGDDXFA-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.64
Rot. Bonds3

About N-(1,2-dihydropyridin-6-ylmethyl)ethanamine

N-(1,2-dihydropyridin-6-ylmethyl)ethanamine (PubChem CID 89302557) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-(1,2-dihydropyridin-6-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,2-dihydropyridin-6-ylmethyl)ethanamine
PubChem CID89302557
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-(1,2-dihydropyridin-6-ylmethyl)ethanamine
SMILESCCNCC1=CC=CCN1
InChIInChI=1S/C8H14N2/c1-2-9-7-8-5-3-4-6-10-8/h3-5,9-10H,2,6-7H2,1H3
InChIKeyLTBRCESAGDDXFA-UHFFFAOYSA-N
XLogP0.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydropyridin-6-ylmethyl)ethanamine?
The IUPAC name of N-(1,2-dihydropyridin-6-ylmethyl)ethanamine (CID 89302557) is N-(1,2-dihydropyridin-6-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,2-dihydropyridin-6-ylmethyl)ethanamine?
The canonical SMILES for N-(1,2-dihydropyridin-6-ylmethyl)ethanamine is CCNCC1=CC=CCN1.
What is the InChIKey of N-(1,2-dihydropyridin-6-ylmethyl)ethanamine?
The InChIKey is LTBRCESAGDDXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-9-7-8-5-3-4-6-10-8/h3-5,9-10H,2,6-7H2,1H3.
What are the key properties of N-(1,2-dihydropyridin-6-ylmethyl)ethanamine?
N-(1,2-dihydropyridin-6-ylmethyl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydropyridin-6-ylmethyl)ethanamine is sourced from PubChem (CID 89302557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).