3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine

C14H24N2O — CID 176663993

IUPAC3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)Cc1cccnc1N.CCC1COC1
InChIInChI=1S/C9H14N2.C5H10O/c1-7(2)6-8-4-3-5-11-9(8)10;1-2-5-3-6-4-5/h3-5,7H,6H2,1-2H3,(H2,10,11);5H,2-4H2,1H3
InChIKeyPQLLITXYSTUEPN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.91
Rot. Bonds3

About 3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine

3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine (PubChem CID 176663993) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine
PubChem CID176663993
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine
SMILESCC(C)Cc1cccnc1N.CCC1COC1
InChIInChI=1S/C9H14N2.C5H10O/c1-7(2)6-8-4-3-5-11-9(8)10;1-2-5-3-6-4-5/h3-5,7H,6H2,1-2H3,(H2,10,11);5H,2-4H2,1H3
InChIKeyPQLLITXYSTUEPN-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine (CID 176663993) is 3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine is CC(C)Cc1cccnc1N.CCC1COC1.
What is the InChIKey of 3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine?
The InChIKey is PQLLITXYSTUEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C5H10O/c1-7(2)6-8-4-3-5-11-9(8)10;1-2-5-3-6-4-5/h3-5,7H,6H2,1-2H3,(H2,10,11);5H,2-4H2,1H3.
What are the key properties of 3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine?
3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloxetane;3-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 176663993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).