2,3,4,5-tetrahydropyridin-1-ium-6-amine

C5H11N2+ — CID 7003748

IUPAC2,3,4,5-tetrahydropyridin-1-ium-6-amine
SMILESNC1=[NH+]CCCC1
InChIInChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)/p+1
InChIKeyDHGUMNJVFYRSIG-UHFFFAOYSA-O
MW99.16 g/mol
LogP-1.39
Rot. Bonds

About 2,3,4,5-tetrahydropyridin-1-ium-6-amine

2,3,4,5-tetrahydropyridin-1-ium-6-amine (PubChem CID 7003748) has the molecular formula C5H11N2+ and a molecular weight of 99.16 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridin-1-ium-6-amine.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridin-1-ium-6-amine
PubChem CID7003748
Molecular FormulaC5H11N2+
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC Name2,3,4,5-tetrahydropyridin-1-ium-6-amine
SMILESNC1=[NH+]CCCC1
InChIInChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)/p+1
InChIKeyDHGUMNJVFYRSIG-UHFFFAOYSA-O
XLogP-1.39
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidin-2-imine
CID 85237
2-Amino-3,4,5,6-tetrahydropyridine
CID 85236
Cyanamide, (3,4,5,6-tetrahydro-2-pyridinyl)-
CID 57246
Hydron;2,3,4,5-tetrahydropyridin-6-amine;chloride
CID 74764638
3,4-dihydro-2H-pyrrol-1-ium-5-amine
CID 25625339
5-Aminopentanimidamide
CID 79496527
2-Pyridinamine, 3,4,5,6-tetrahydro-, hydrochloride (1:2)
CID 162367804
3,4,5,6-Tetrahydropyridine-2,5-diamine
CID 18428460
3,4,5,6-Tetrahydropyridine-2,4-diamine
CID 18428540
3,4,5,6-Tetrahydro-6-imino-2-pyridinamine
CID 23133922
2,3,4,5-Tetrahydropyridine-5,6-diamine
CID 57016562
(5S)-2,3,4,5-tetrahydropyridine-5,6-diamine
CID 57030254

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyridin-1-ium-6-amine?
The IUPAC name of 2,3,4,5-tetrahydropyridin-1-ium-6-amine (CID 7003748) is 2,3,4,5-tetrahydropyridin-1-ium-6-amine.
What is the SMILES notation for 2,3,4,5-tetrahydropyridin-1-ium-6-amine?
The canonical SMILES for 2,3,4,5-tetrahydropyridin-1-ium-6-amine is NC1=[NH+]CCCC1.
What is the InChIKey of 2,3,4,5-tetrahydropyridin-1-ium-6-amine?
The InChIKey is DHGUMNJVFYRSIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)/p+1.
What are the key properties of 2,3,4,5-tetrahydropyridin-1-ium-6-amine?
2,3,4,5-tetrahydropyridin-1-ium-6-amine has a molecular weight of 99.16 g/mol, XLogP of -1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyridin-1-ium-6-amine is sourced from PubChem (CID 7003748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).