[3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol

C11H18N2O2 — CID 115922374

IUPAC[3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol
SMILESCOC(C)C(C)Nc1cnccc1CO
InChIInChI=1S/C11H18N2O2/c1-8(9(2)15-3)13-11-6-12-5-4-10(11)7-14/h4-6,8-9,13-14H,7H2,1-3H3
InChIKeyJQJVHXFYBBDXQL-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.41
Rot. Bonds5

About [3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol

[3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol (PubChem CID 115922374) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is [3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol
PubChem CID115922374
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name[3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol
SMILESCOC(C)C(C)Nc1cnccc1CO
InChIInChI=1S/C11H18N2O2/c1-8(9(2)15-3)13-11-6-12-5-4-10(11)7-14/h4-6,8-9,13-14H,7H2,1-3H3
InChIKeyJQJVHXFYBBDXQL-UHFFFAOYSA-N
XLogP1.41
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-propan-2-ylpyridin-3-amine;dihydrochloride
CID 11218619
[4-(methylamino)-3-pyridinyl]methanol
CID 105427975
N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide
CID 162345670
[4-(bromomethyl)-3-pyridinyl]methanol
CID 139484815
[2-[[(2S,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
CID 93275522
[3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol
CID 146145103
[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol
CID 71845475
[3-(2-propan-2-yloxyethoxy)-4-pyridinyl]methanol
CID 105067127
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579
2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859
2-bromo-N-(3-methoxybutan-2-yl)aniline
CID 115928171
[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol
CID 115749542

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol?
The IUPAC name of [3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol (CID 115922374) is [3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol?
The canonical SMILES for [3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol is COC(C)C(C)Nc1cnccc1CO.
What is the InChIKey of [3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol?
The InChIKey is JQJVHXFYBBDXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(9(2)15-3)13-11-6-12-5-4-10(11)7-14/h4-6,8-9,13-14H,7H2,1-3H3.
What are the key properties of [3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol?
[3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol has a molecular weight of 210.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol is sourced from PubChem (CID 115922374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).