1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol

C12H20N2O2 — CID 105066912

IUPAC1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cnccc1CO
InChIInChI=1S/C12H20N2O2/c1-4-14(9-12(2,3)16)11-7-13-6-5-10(11)8-15/h5-7,15-16H,4,8-9H2,1-3H3
InChIKeyGFFGVRUMMJDCID-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.17
Rot. Bonds5

About 1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol

1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol (PubChem CID 105066912) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol
PubChem CID105066912
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cnccc1CO
InChIInChI=1S/C12H20N2O2/c1-4-14(9-12(2,3)16)11-7-13-6-5-10(11)8-15/h5-7,15-16H,4,8-9H2,1-3H3
InChIKeyGFFGVRUMMJDCID-UHFFFAOYSA-N
XLogP1.17
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(diethylamino)-4-pyridinyl]methanol
CID 105066644
[3-[ethyl(propyl)amino]-4-pyridinyl]methanol
CID 105066699
[3-[benzyl(ethyl)amino]-4-pyridinyl]methanol
CID 105066690
[3-(N-ethylanilino)-4-pyridinyl]methanol
CID 105066676
[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol
CID 105066726
ethane;(4-ethyl-3-pyridinyl)methanol;propane
CID 142370025
1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387446
1-[ethyl-[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 79390496
1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387897
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
[3-[cyclopropyl(methyl)amino]-4-pyridinyl]methanol
CID 105066695
[3-[methyl(2-methylpropyl)amino]-4-pyridinyl]methanol
CID 105066705

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol (CID 105066912) is 1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1cnccc1CO.
What is the InChIKey of 1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol?
The InChIKey is GFFGVRUMMJDCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-14(9-12(2,3)16)11-7-13-6-5-10(11)8-15/h5-7,15-16H,4,8-9H2,1-3H3.
What are the key properties of 1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 105066912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).