2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine

C7H15N3 — CID 57204991

IUPAC2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESNCCC1CCCC(N)=N1
InChIInChI=1S/C7H15N3/c8-5-4-6-2-1-3-7(9)10-6/h6H,1-5,8H2,(H2,9,10)
InChIKeyIKQSJDMCLPDZIZ-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.24
Rot. Bonds2

About 2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine

2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 57204991) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID57204991
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESNCCC1CCCC(N)=N1
InChIInChI=1S/C7H15N3/c8-5-4-6-2-1-3-7(9)10-6/h6H,1-5,8H2,(H2,9,10)
InChIKeyIKQSJDMCLPDZIZ-UHFFFAOYSA-N
XLogP0.24
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 57204991) is 2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine is NCCC1CCCC(N)=N1.
What is the InChIKey of 2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is IKQSJDMCLPDZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c8-5-4-6-2-1-3-7(9)10-6/h6H,1-5,8H2,(H2,9,10).
What are the key properties of 2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine?
2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 141.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 57204991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).