2,3,4,5-tetrahydropyridin-4-ylmethanamine

C6H12N2 — CID 23062914

IUPAC2,3,4,5-tetrahydropyridin-4-ylmethanamine
SMILESNCC1CC=NCC1
InChIInChI=1S/C6H12N2/c7-5-6-1-3-8-4-2-6/h3,6H,1-2,4-5,7H2
InChIKeyYCWVTCRFMBYSEA-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.43
Rot. Bonds1

About 2,3,4,5-tetrahydropyridin-4-ylmethanamine

2,3,4,5-tetrahydropyridin-4-ylmethanamine (PubChem CID 23062914) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridin-4-ylmethanamine.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridin-4-ylmethanamine
PubChem CID23062914
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2,3,4,5-tetrahydropyridin-4-ylmethanamine
SMILESNCC1CC=NCC1
InChIInChI=1S/C6H12N2/c7-5-6-1-3-8-4-2-6/h3,6H,1-2,4-5,7H2
InChIKeyYCWVTCRFMBYSEA-UHFFFAOYSA-N
XLogP0.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyridin-4-ylmethanamine?
The IUPAC name of 2,3,4,5-tetrahydropyridin-4-ylmethanamine (CID 23062914) is 2,3,4,5-tetrahydropyridin-4-ylmethanamine.
What is the SMILES notation for 2,3,4,5-tetrahydropyridin-4-ylmethanamine?
The canonical SMILES for 2,3,4,5-tetrahydropyridin-4-ylmethanamine is NCC1CC=NCC1.
What is the InChIKey of 2,3,4,5-tetrahydropyridin-4-ylmethanamine?
The InChIKey is YCWVTCRFMBYSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-6-1-3-8-4-2-6/h3,6H,1-2,4-5,7H2.
What are the key properties of 2,3,4,5-tetrahydropyridin-4-ylmethanamine?
2,3,4,5-tetrahydropyridin-4-ylmethanamine has a molecular weight of 112.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyridin-4-ylmethanamine is sourced from PubChem (CID 23062914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).