[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol

C12H20N2O — CID 105066726

IUPAC[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol
SMILESCCCC(C)N(C)c1cnccc1CO
InChIInChI=1S/C12H20N2O/c1-4-5-10(2)14(3)12-8-13-7-6-11(12)9-15/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyJUXAWTRRYCRPLL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.20
Rot. Bonds5

About [3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol

[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol (PubChem CID 105066726) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol
PubChem CID105066726
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol
SMILESCCCC(C)N(C)c1cnccc1CO
InChIInChI=1S/C12H20N2O/c1-4-5-10(2)14(3)12-8-13-7-6-11(12)9-15/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyJUXAWTRRYCRPLL-UHFFFAOYSA-N
XLogP2.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol?
The IUPAC name of [3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol (CID 105066726) is [3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol is CCCC(C)N(C)c1cnccc1CO.
What is the InChIKey of [3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol?
The InChIKey is JUXAWTRRYCRPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-10(2)14(3)12-8-13-7-6-11(12)9-15/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of [3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol?
[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol has a molecular weight of 208.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 105066726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).