N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine

C8H14N2 — CID 174266215

IUPACN-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine
SMILESC=CNC1=C(C)CCNC1
InChIInChI=1S/C8H14N2/c1-3-10-8-6-9-5-4-7(8)2/h3,9-10H,1,4-6H2,2H3
InChIKeyVRPOWRFIKHBZFH-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.99
Rot. Bonds2

About N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine

N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 174266215) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound NameN-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID174266215
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine
SMILESC=CNC1=C(C)CCNC1
InChIInChI=1S/C8H14N2/c1-3-10-8-6-9-5-4-7(8)2/h3,9-10H,1,4-6H2,2H3
InChIKeyVRPOWRFIKHBZFH-UHFFFAOYSA-N
XLogP0.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine (CID 174266215) is N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine.
What is the SMILES notation for N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine is C=CNC1=C(C)CCNC1.
What is the InChIKey of N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is VRPOWRFIKHBZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-10-8-6-9-5-4-7(8)2/h3,9-10H,1,4-6H2,2H3.
What are the key properties of N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine?
N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine has a molecular weight of 138.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-methyl-1,2,3,6-tetrahydropyridin-5-amine is sourced from PubChem (CID 174266215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).