1,2,3,6-tetrahydropyridin-4-ylmethanamine

C6H12N2 — CID 20666163

IUPAC1,2,3,6-tetrahydropyridin-4-ylmethanamine
SMILESNCC1=CCNCC1
InChIInChI=1S/C6H12N2/c7-5-6-1-3-8-4-2-6/h1,8H,2-5,7H2
InChIKeyXSIYFCJQHCTSMT-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.14
Rot. Bonds1

About 1,2,3,6-tetrahydropyridin-4-ylmethanamine

1,2,3,6-tetrahydropyridin-4-ylmethanamine (PubChem CID 20666163) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridin-4-ylmethanamine.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridin-4-ylmethanamine
PubChem CID20666163
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,2,3,6-tetrahydropyridin-4-ylmethanamine
SMILESNCC1=CCNCC1
InChIInChI=1S/C6H12N2/c7-5-6-1-3-8-4-2-6/h1,8H,2-5,7H2
InChIKeyXSIYFCJQHCTSMT-UHFFFAOYSA-N
XLogP-0.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,6-Tetrahydropyridine
CID 12750
1,2,3,6-Tetrahydropyridine hydrochloride
CID 16212870
4-Methyl-1,2,3,6-tetrahydropyridine
CID 5231576
4-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 13241116
4-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 45933625
(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 55283731
(1,2,3,6-Tetrahydropyridin-4-yl)methanamine dihydrochloride
CID 89303161
3,4-Dimethyl-1,2,5,6-tetrahydropyridine
CID 10997188
5-Methyl-1,2,3,6-tetrahydropyridine
CID 5250455
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
Pyridine, 1,2,5,6-tetrahydro-4,6-dimethyl-
CID 23423762
3-Propylidenepyrrolidine
CID 79875565

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridin-4-ylmethanamine?
The IUPAC name of 1,2,3,6-tetrahydropyridin-4-ylmethanamine (CID 20666163) is 1,2,3,6-tetrahydropyridin-4-ylmethanamine.
What is the SMILES notation for 1,2,3,6-tetrahydropyridin-4-ylmethanamine?
The canonical SMILES for 1,2,3,6-tetrahydropyridin-4-ylmethanamine is NCC1=CCNCC1.
What is the InChIKey of 1,2,3,6-tetrahydropyridin-4-ylmethanamine?
The InChIKey is XSIYFCJQHCTSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-6-1-3-8-4-2-6/h1,8H,2-5,7H2.
What are the key properties of 1,2,3,6-tetrahydropyridin-4-ylmethanamine?
1,2,3,6-tetrahydropyridin-4-ylmethanamine has a molecular weight of 112.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridin-4-ylmethanamine is sourced from PubChem (CID 20666163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).