1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine

C11H20N2 — CID 126713170

IUPAC1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine
SMILESC=C(N)C1=CNC(C)C(CC)C1C
InChIInChI=1S/C11H20N2/c1-5-10-7(2)11(8(3)12)6-13-9(10)4/h6-7,9-10,13H,3,5,12H2,1-2,4H3
InChIKeyNWLJLUIEYYLDCN-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.00
Rot. Bonds2

About 1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine

1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine (PubChem CID 126713170) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine.

Molecular Properties

Compound Name1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine
PubChem CID126713170
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine
SMILESC=C(N)C1=CNC(C)C(CC)C1C
InChIInChI=1S/C11H20N2/c1-5-10-7(2)11(8(3)12)6-13-9(10)4/h6-7,9-10,13H,3,5,12H2,1-2,4H3
InChIKeyNWLJLUIEYYLDCN-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine?
The IUPAC name of 1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine (CID 126713170) is 1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine.
What is the SMILES notation for 1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine?
The canonical SMILES for 1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine is C=C(N)C1=CNC(C)C(CC)C1C.
What is the InChIKey of 1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine?
The InChIKey is NWLJLUIEYYLDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-10-7(2)11(8(3)12)6-13-9(10)4/h6-7,9-10,13H,3,5,12H2,1-2,4H3.
What are the key properties of 1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine?
1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine has a molecular weight of 180.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,4-dimethyl-1,2,3,4-tetrahydropyridin-5-yl)ethenamine is sourced from PubChem (CID 126713170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).