1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol

C12H27NO2 — CID 90370489

IUPAC1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
SMILESCCCCN(CC(C)(C)O)CC(C)(C)O
InChIInChI=1S/C12H27NO2/c1-6-7-8-13(9-11(2,3)14)10-12(4,5)15/h14-15H,6-10H2,1-5H3
InChIKeyVHKKEABNAFGSFE-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.63
Rot. Bonds7

About 1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol

1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol (PubChem CID 90370489) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
PubChem CID90370489
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
SMILESCCCCN(CC(C)(C)O)CC(C)(C)O
InChIInChI=1S/C12H27NO2/c1-6-7-8-13(9-11(2,3)14)10-12(4,5)15/h14-15H,6-10H2,1-5H3
InChIKeyVHKKEABNAFGSFE-UHFFFAOYSA-N
XLogP1.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol (CID 90370489) is 1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol is CCCCN(CC(C)(C)O)CC(C)(C)O.
What is the InChIKey of 1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol?
The InChIKey is VHKKEABNAFGSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-7-8-13(9-11(2,3)14)10-12(4,5)15/h14-15H,6-10H2,1-5H3.
What are the key properties of 1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol?
1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 90370489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).