3-butyl-2,3,4,5-tetrahydropyridin-6-amine

C9H18N2 — CID 18428580

IUPAC3-butyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCCC1CCC(N)=NC1
InChIInChI=1S/C9H18N2/c1-2-3-4-8-5-6-9(10)11-7-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyPONBEAYYSIPHOA-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.94
Rot. Bonds3

About 3-butyl-2,3,4,5-tetrahydropyridin-6-amine

3-butyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 18428580) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-butyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name3-butyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID18428580
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-butyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCCC1CCC(N)=NC1
InChIInChI=1S/C9H18N2/c1-2-3-4-8-5-6-9(10)11-7-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyPONBEAYYSIPHOA-UHFFFAOYSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 3-butyl-2,3,4,5-tetrahydropyridin-6-amine (CID 18428580) is 3-butyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 3-butyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 3-butyl-2,3,4,5-tetrahydropyridin-6-amine is CCCCC1CCC(N)=NC1.
What is the InChIKey of 3-butyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is PONBEAYYSIPHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-4-8-5-6-9(10)11-7-8/h8H,2-7H2,1H3,(H2,10,11).
What are the key properties of 3-butyl-2,3,4,5-tetrahydropyridin-6-amine?
3-butyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 154.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 18428580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).