6-(3-methylbutoxy)-N-propylpyridin-2-amine

C13H22N2O — CID 80859395

IUPAC6-(3-methylbutoxy)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(OCCC(C)C)n1
InChIInChI=1S/C13H22N2O/c1-4-9-14-12-6-5-7-13(15-12)16-10-8-11(2)3/h5-7,11H,4,8-10H2,1-3H3,(H,14,15)
InChIKeyWRBLRTPOTZASHY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.33
Rot. Bonds7

About 6-(3-methylbutoxy)-N-propylpyridin-2-amine

6-(3-methylbutoxy)-N-propylpyridin-2-amine (PubChem CID 80859395) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-(3-methylbutoxy)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylbutoxy)-N-propylpyridin-2-amine
PubChem CID80859395
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-(3-methylbutoxy)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(OCCC(C)C)n1
InChIInChI=1S/C13H22N2O/c1-4-9-14-12-6-5-7-13(15-12)16-10-8-11(2)3/h5-7,11H,4,8-10H2,1-3H3,(H,14,15)
InChIKeyWRBLRTPOTZASHY-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-methylbutoxy)-N-propylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-propan-2-yloxyethoxy)-N-propylpyridin-2-amine
CID 80860049
N-methyl-6-(3-methylbutoxy)pyridin-2-amine
CID 80859136
N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 80862265
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017
6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine
CID 80872267
N-propyl-6-prop-2-ynoxypyridin-2-amine
CID 80861470
6-prop-2-enoxy-N-propylpyridin-2-amine
CID 80868454
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
6-butoxy-N-ethylpyridin-2-amine
CID 80867318
6-[(2-methylpropan-2-yl)oxy]-N-propylpyridin-2-amine
CID 80861017
[6-(4-methylpentoxy)-2-pyridinyl]hydrazine
CID 80911157

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutoxy)-N-propylpyridin-2-amine?
The IUPAC name of 6-(3-methylbutoxy)-N-propylpyridin-2-amine (CID 80859395) is 6-(3-methylbutoxy)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(3-methylbutoxy)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(3-methylbutoxy)-N-propylpyridin-2-amine is CCCNc1cccc(OCCC(C)C)n1.
What is the InChIKey of 6-(3-methylbutoxy)-N-propylpyridin-2-amine?
The InChIKey is WRBLRTPOTZASHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9-14-12-6-5-7-13(15-12)16-10-8-11(2)3/h5-7,11H,4,8-10H2,1-3H3,(H,14,15).
What are the key properties of 6-(3-methylbutoxy)-N-propylpyridin-2-amine?
6-(3-methylbutoxy)-N-propylpyridin-2-amine has a molecular weight of 222.33 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutoxy)-N-propylpyridin-2-amine is sourced from PubChem (CID 80859395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).