[4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol

C16H28N2O — CID 107870750

IUPAC[4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol
SMILESCC(C)CCN(CCC(C)C)c1ccnc(CO)c1
InChIInChI=1S/C16H28N2O/c1-13(2)6-9-18(10-7-14(3)4)16-5-8-17-15(11-16)12-19/h5,8,11,13-14,19H,6-7,9-10,12H2,1-4H3
InChIKeyJSUVILBIXNARFE-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.47
Rot. Bonds8

About [4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol

[4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol (PubChem CID 107870750) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is [4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol
PubChem CID107870750
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name[4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol
SMILESCC(C)CCN(CCC(C)C)c1ccnc(CO)c1
InChIInChI=1S/C16H28N2O/c1-13(2)6-9-18(10-7-14(3)4)16-5-8-17-15(11-16)12-19/h5,8,11,13-14,19H,6-7,9-10,12H2,1-4H3
InChIKeyJSUVILBIXNARFE-UHFFFAOYSA-N
XLogP3.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol?
The IUPAC name of [4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol (CID 107870750) is [4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol is CC(C)CCN(CCC(C)C)c1ccnc(CO)c1.
What is the InChIKey of [4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol?
The InChIKey is JSUVILBIXNARFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)6-9-18(10-7-14(3)4)16-5-8-17-15(11-16)12-19/h5,8,11,13-14,19H,6-7,9-10,12H2,1-4H3.
What are the key properties of [4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol?
[4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol has a molecular weight of 264.41 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 107870750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).