3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine

C11H18N2O — CID 106458112

IUPAC3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
SMILESCC(C)COCCc1cccnc1N
InChIInChI=1S/C11H18N2O/c1-9(2)8-14-7-5-10-4-3-6-13-11(10)12/h3-4,6,9H,5,7-8H2,1-2H3,(H2,12,13)
InChIKeyHJIGPDGFHGTZEH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.88
Rot. Bonds5

About 3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine

3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine (PubChem CID 106458112) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
PubChem CID106458112
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
SMILESCC(C)COCCc1cccnc1N
InChIInChI=1S/C11H18N2O/c1-9(2)8-14-7-5-10-4-3-6-13-11(10)12/h3-4,6,9H,5,7-8H2,1-2H3,(H2,12,13)
InChIKeyHJIGPDGFHGTZEH-UHFFFAOYSA-N
XLogP1.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropyl)pyridin-2-amine
CID 20771927
4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 106458123
[3-[2-(2-methylpropoxy)ethoxymethyl]-2-pyridinyl]hydrazine
CID 106449351
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
ethane;3-propylpyridin-2-amine
CID 176926436
1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene
CID 91692886
3-(5-methoxypentyl)pyridin-2-amine
CID 104649842
N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
CID 106452343
3-(3-aminopentyl)pyridin-2-amine
CID 64505573
3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile
CID 106447603
2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611278
1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine (CID 106458112) is 3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine is CC(C)COCCc1cccnc1N.
What is the InChIKey of 3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
The InChIKey is HJIGPDGFHGTZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)8-14-7-5-10-4-3-6-13-11(10)12/h3-4,6,9H,5,7-8H2,1-2H3,(H2,12,13).
What are the key properties of 3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 106458112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).