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

C5H10N2 — CID 5247520

IUPAC1,2,3,6-tetrahydropyridin-4-amine
SMILESNC1=CCNCC1
InChIInChI=1S/C5H10N2/c6-5-1-3-7-4-2-5/h1,7H,2-4,6H2
InChIKeyGNZGHXJOXSNAGG-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.18
Rot. Bonds

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

1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 5247520) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridin-4-amine
PubChem CID5247520
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name1,2,3,6-tetrahydropyridin-4-amine
SMILESNC1=CCNCC1
InChIInChI=1S/C5H10N2/c6-5-1-3-7-4-2-5/h1,7H,2-4,6H2
InChIKeyGNZGHXJOXSNAGG-UHFFFAOYSA-N
XLogP-0.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 430196
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CID 6398063
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CID 12231237
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CID 22748447
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CID 54501895
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CID 56634614
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CID 59239325
CID 59239325

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of 1,2,3,6-tetrahydropyridin-4-amine (CID 5247520) is 1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for 1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for 1,2,3,6-tetrahydropyridin-4-amine is NC1=CCNCC1.
What is the InChIKey of 1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is GNZGHXJOXSNAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c6-5-1-3-7-4-2-5/h1,7H,2-4,6H2.
What are the key properties of 1,2,3,6-tetrahydropyridin-4-amine?
1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 98.15 g/mol, XLogP of -0.18, 0 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-amine is sourced from PubChem (CID 5247520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).