3-ethyl-3-pyridin-2-ylpentan-1-amine

C12H20N2 — CID 83818225

IUPAC3-ethyl-3-pyridin-2-ylpentan-1-amine
SMILESCCC(CC)(CCN)c1ccccn1
InChIInChI=1S/C12H20N2/c1-3-12(4-2,8-9-13)11-7-5-6-10-14-11/h5-7,10H,3-4,8-9,13H2,1-2H3
InChIKeyPJYMDGBNJPZHCA-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.49
Rot. Bonds5

About 3-ethyl-3-pyridin-2-ylpentan-1-amine

3-ethyl-3-pyridin-2-ylpentan-1-amine (PubChem CID 83818225) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-ethyl-3-pyridin-2-ylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-3-pyridin-2-ylpentan-1-amine
PubChem CID83818225
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-ethyl-3-pyridin-2-ylpentan-1-amine
SMILESCCC(CC)(CCN)c1ccccn1
InChIInChI=1S/C12H20N2/c1-3-12(4-2,8-9-13)11-7-5-6-10-14-11/h5-7,10H,3-4,8-9,13H2,1-2H3
InChIKeyPJYMDGBNJPZHCA-UHFFFAOYSA-N
XLogP2.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-pyridin-2-ylpentan-1-amine?
The IUPAC name of 3-ethyl-3-pyridin-2-ylpentan-1-amine (CID 83818225) is 3-ethyl-3-pyridin-2-ylpentan-1-amine.
What is the SMILES notation for 3-ethyl-3-pyridin-2-ylpentan-1-amine?
The canonical SMILES for 3-ethyl-3-pyridin-2-ylpentan-1-amine is CCC(CC)(CCN)c1ccccn1.
What is the InChIKey of 3-ethyl-3-pyridin-2-ylpentan-1-amine?
The InChIKey is PJYMDGBNJPZHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-12(4-2,8-9-13)11-7-5-6-10-14-11/h5-7,10H,3-4,8-9,13H2,1-2H3.
What are the key properties of 3-ethyl-3-pyridin-2-ylpentan-1-amine?
3-ethyl-3-pyridin-2-ylpentan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-pyridin-2-ylpentan-1-amine is sourced from PubChem (CID 83818225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).