5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine

C15H24N2O — CID 114011595

IUPAC5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ccc(C(C)(C)C)cn2)CCCO1
InChIInChI=1S/C15H24N2O/c1-14(2,3)12-6-7-13(16-10-12)17-11-15(4)8-5-9-18-15/h6-7,10H,5,8-9,11H2,1-4H3,(H,16,17)
InChIKeyYHZLEPHBAKEFQE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.36
Rot. Bonds3

About 5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine

5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine (PubChem CID 114011595) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine
PubChem CID114011595
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ccc(C(C)(C)C)cn2)CCCO1
InChIInChI=1S/C15H24N2O/c1-14(2,3)12-6-7-13(16-10-12)17-11-15(4)8-5-9-18-15/h6-7,10H,5,8-9,11H2,1-4H3,(H,16,17)
InChIKeyYHZLEPHBAKEFQE-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine (CID 114011595) is 5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine is CC1(CNc2ccc(C(C)(C)C)cn2)CCCO1.
What is the InChIKey of 5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine?
The InChIKey is YHZLEPHBAKEFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2,3)12-6-7-13(16-10-12)17-11-15(4)8-5-9-18-15/h6-7,10H,5,8-9,11H2,1-4H3,(H,16,17).
What are the key properties of 5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine?
5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114011595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).