2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine

C12H21N3 — CID 83916596

IUPAC2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine
SMILESCC(C)c1cnc(CCN(C)C)c(N)c1
InChIInChI=1S/C12H21N3/c1-9(2)10-7-11(13)12(14-8-10)5-6-15(3)4/h7-9H,5-6,13H2,1-4H3
InChIKeyNQTRVMOZMZFMLE-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.89
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine

2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine (PubChem CID 83916596) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine
PubChem CID83916596
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine
SMILESCC(C)c1cnc(CCN(C)C)c(N)c1
InChIInChI=1S/C12H21N3/c1-9(2)10-7-11(13)12(14-8-10)5-6-15(3)4/h7-9H,5-6,13H2,1-4H3
InChIKeyNQTRVMOZMZFMLE-UHFFFAOYSA-N
XLogP1.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine (CID 83916596) is 2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine is CC(C)c1cnc(CCN(C)C)c(N)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine?
The InChIKey is NQTRVMOZMZFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)10-7-11(13)12(14-8-10)5-6-15(3)4/h7-9H,5-6,13H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine?
2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 83916596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).