2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine

C8H16N2 — CID 105428172

IUPAC2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
SMILESCC(CN)C1=CCNCC1
InChIInChI=1S/C8H16N2/c1-7(6-9)8-2-4-10-5-3-8/h2,7,10H,3-6,9H2,1H3
InChIKeyYRVMPJUUIBVRTJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.50
Rot. Bonds2

About 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine

2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine (PubChem CID 105428172) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
PubChem CID105428172
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
SMILESCC(CN)C1=CCNCC1
InChIInChI=1S/C8H16N2/c1-7(6-9)8-2-4-10-5-3-8/h2,7,10H,3-6,9H2,1H3
InChIKeyYRVMPJUUIBVRTJ-UHFFFAOYSA-N
XLogP0.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.50
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

(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
N'-[(6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]pentane-1,5-diamine
CID 156010185
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 75437864
4-Tert-butyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 71757335
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
4-tert-Butyl-1,2,3,6-tetrahydropyridine
CID 21519703

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine (CID 105428172) is 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine is CC(CN)C1=CCNCC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
The InChIKey is YRVMPJUUIBVRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(6-9)8-2-4-10-5-3-8/h2,7,10H,3-6,9H2,1H3.
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine?
2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine is sourced from PubChem (CID 105428172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).