N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine

C15H25N3 — CID 114056330

IUPACN-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(c1ncccc1C(C)NC)C(C)(C)C
InChIInChI=1S/C15H25N3/c1-7-11-18(15(3,4)5)14-13(12(2)16-6)9-8-10-17-14/h7-10,12,16H,1,11H2,2-6H3
InChIKeyJSRDJTQHUDZVPX-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.15
Rot. Bonds5

About N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine

N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine (PubChem CID 114056330) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine
PubChem CID114056330
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(c1ncccc1C(C)NC)C(C)(C)C
InChIInChI=1S/C15H25N3/c1-7-11-18(15(3,4)5)14-13(12(2)16-6)9-8-10-17-14/h7-10,12,16H,1,11H2,2-6H3
InChIKeyJSRDJTQHUDZVPX-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine?
The IUPAC name of N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine (CID 114056330) is N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine is C=CCN(c1ncccc1C(C)NC)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine?
The InChIKey is JSRDJTQHUDZVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-7-11-18(15(3,4)5)14-13(12(2)16-6)9-8-10-17-14/h7-10,12,16H,1,11H2,2-6H3.
What are the key properties of N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine?
N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 114056330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).