4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine

C9H16N2 — CID 18428441

IUPAC4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESC=CCC1CC(C)CC(N)=N1
InChIInChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,7-8H,1,4-6H2,2H3,(H2,10,11)
InChIKeyFKHQXJUPFFLZCP-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.72
Rot. Bonds2

About 4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine

4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 18428441) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID18428441
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESC=CCC1CC(C)CC(N)=N1
InChIInChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,7-8H,1,4-6H2,2H3,(H2,10,11)
InChIKeyFKHQXJUPFFLZCP-UHFFFAOYSA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine (CID 18428441) is 4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine is C=CCC1CC(C)CC(N)=N1.
What is the InChIKey of 4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is FKHQXJUPFFLZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,7-8H,1,4-6H2,2H3,(H2,10,11).
What are the key properties of 4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine?
4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 152.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 18428441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).