N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine

C15H24N2 — CID 142855617

IUPACN-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine
SMILESC=C(C)c1ccnc(N(CC)CCC(C)C)c1
InChIInChI=1S/C15H24N2/c1-6-17(10-8-12(2)3)15-11-14(13(4)5)7-9-16-15/h7,9,11-12H,4,6,8,10H2,1-3,5H3
InChIKeyQICWXQYYOQEYEH-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.99
Rot. Bonds6

About N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine

N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine (PubChem CID 142855617) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine
PubChem CID142855617
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine
SMILESC=C(C)c1ccnc(N(CC)CCC(C)C)c1
InChIInChI=1S/C15H24N2/c1-6-17(10-8-12(2)3)15-11-14(13(4)5)7-9-16-15/h7,9,11-12H,4,6,8,10H2,1-3,5H3
InChIKeyQICWXQYYOQEYEH-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine?
The IUPAC name of N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine (CID 142855617) is N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine.
What is the SMILES notation for N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine?
The canonical SMILES for N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine is C=C(C)c1ccnc(N(CC)CCC(C)C)c1.
What is the InChIKey of N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine?
The InChIKey is QICWXQYYOQEYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-17(10-8-12(2)3)15-11-14(13(4)5)7-9-16-15/h7,9,11-12H,4,6,8,10H2,1-3,5H3.
What are the key properties of N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine?
N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine has a molecular weight of 232.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine is sourced from PubChem (CID 142855617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).