N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine

C7H14N2 — CID 58270063

IUPACN,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine
SMILESCNC1=C(C)CNCC1
InChIInChI=1S/C7H14N2/c1-6-5-9-4-3-7(6)8-2/h8-9H,3-5H2,1-2H3
InChIKeyBJGQGUDRYPASSJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.47
Rot. Bonds1

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

N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 58270063) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID58270063
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine
SMILESCNC1=C(C)CNCC1
InChIInChI=1S/C7H14N2/c1-6-5-9-4-3-7(6)8-2/h8-9H,3-5H2,1-2H3
InChIKeyBJGQGUDRYPASSJ-UHFFFAOYSA-N
XLogP0.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine (CID 58270063) is N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine is CNC1=C(C)CNCC1.
What is the InChIKey of N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is BJGQGUDRYPASSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-5-9-4-3-7(6)8-2/h8-9H,3-5H2,1-2H3.
What are the key properties of N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine?
N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 126.20 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 58270063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).