3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine

C12H16N2 — CID 170948479

IUPAC3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine
SMILESC=Cc1c(C(=C)C(C)C)ccnc1N
InChIInChI=1S/C12H16N2/c1-5-10-11(9(4)8(2)3)6-7-14-12(10)13/h5-8H,1,4H2,2-3H3,(H2,13,14)
InChIKeyODZNVRSPQYCJOL-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.98
Rot. Bonds3

About 3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine

3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine (PubChem CID 170948479) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine
PubChem CID170948479
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine
SMILESC=Cc1c(C(=C)C(C)C)ccnc1N
InChIInChI=1S/C12H16N2/c1-5-10-11(9(4)8(2)3)6-7-14-12(10)13/h5-8H,1,4H2,2-3H3,(H2,13,14)
InChIKeyODZNVRSPQYCJOL-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine?
The IUPAC name of 3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine (CID 170948479) is 3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine?
The canonical SMILES for 3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine is C=Cc1c(C(=C)C(C)C)ccnc1N.
What is the InChIKey of 3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine?
The InChIKey is ODZNVRSPQYCJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-10-11(9(4)8(2)3)6-7-14-12(10)13/h5-8H,1,4H2,2-3H3,(H2,13,14).
What are the key properties of 3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine?
3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine is sourced from PubChem (CID 170948479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).