N-(3,4-dihydropyridin-2-ylmethyl)ethanamine

C8H14N2 — CID 166814846

IUPACN-(3,4-dihydropyridin-2-ylmethyl)ethanamine
SMILESCCNCC1=NC=CCC1
InChIInChI=1S/C8H14N2/c1-2-9-7-8-5-3-4-6-10-8/h4,6,9H,2-3,5,7H2,1H3
InChIKeyPZEIPADYGUSZGS-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds3

About N-(3,4-dihydropyridin-2-ylmethyl)ethanamine

N-(3,4-dihydropyridin-2-ylmethyl)ethanamine (PubChem CID 166814846) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-2-ylmethyl)ethanamine
PubChem CID166814846
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-(3,4-dihydropyridin-2-ylmethyl)ethanamine
SMILESCCNCC1=NC=CCC1
InChIInChI=1S/C8H14N2/c1-2-9-7-8-5-3-4-6-10-8/h4,6,9H,2-3,5,7H2,1H3
InChIKeyPZEIPADYGUSZGS-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-2-ylmethyl)ethanamine?
The IUPAC name of N-(3,4-dihydropyridin-2-ylmethyl)ethanamine (CID 166814846) is N-(3,4-dihydropyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(3,4-dihydropyridin-2-ylmethyl)ethanamine?
The canonical SMILES for N-(3,4-dihydropyridin-2-ylmethyl)ethanamine is CCNCC1=NC=CCC1.
What is the InChIKey of N-(3,4-dihydropyridin-2-ylmethyl)ethanamine?
The InChIKey is PZEIPADYGUSZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-9-7-8-5-3-4-6-10-8/h4,6,9H,2-3,5,7H2,1H3.
What are the key properties of N-(3,4-dihydropyridin-2-ylmethyl)ethanamine?
N-(3,4-dihydropyridin-2-ylmethyl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 166814846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).