N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine

C8H16N2 — CID 117125538

IUPACN-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
SMILESCCNCC1=CCCNC1
InChIInChI=1S/C8H16N2/c1-2-9-6-8-4-3-5-10-7-8/h4,9-10H,2-3,5-7H2,1H3
InChIKeyFGOJGZMSPIFZPB-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.52
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine

N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine (PubChem CID 117125538) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
PubChem CID117125538
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
SMILESCCNCC1=CCCNC1
InChIInChI=1S/C8H16N2/c1-2-9-6-8-4-3-5-10-7-8/h4,9-10H,2-3,5-7H2,1H3
InChIKeyFGOJGZMSPIFZPB-UHFFFAOYSA-N
XLogP0.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine (CID 117125538) is N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine is CCNCC1=CCCNC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine?
The InChIKey is FGOJGZMSPIFZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-9-6-8-4-3-5-10-7-8/h4,9-10H,2-3,5-7H2,1H3.
What are the key properties of N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine?
N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine is sourced from PubChem (CID 117125538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).