3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol

C12H27NO2 — CID 20543996

IUPAC3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol
SMILESCCCCN(CC(C)CO)CC(C)CO
InChIInChI=1S/C12H27NO2/c1-4-5-6-13(7-11(2)9-14)8-12(3)10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyNNDZIXKFWPQVEL-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.35
Rot. Bonds9

About 3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol

3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol (PubChem CID 20543996) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol
PubChem CID20543996
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol
SMILESCCCCN(CC(C)CO)CC(C)CO
InChIInChI=1S/C12H27NO2/c1-4-5-6-13(7-11(2)9-14)8-12(3)10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyNNDZIXKFWPQVEL-UHFFFAOYSA-N
XLogP1.35
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol (CID 20543996) is 3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol is CCCCN(CC(C)CO)CC(C)CO.
What is the InChIKey of 3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol?
The InChIKey is NNDZIXKFWPQVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-5-6-13(7-11(2)9-14)8-12(3)10-15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol?
3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl-(3-hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 20543996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).