2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol

C8H19NO — CID 71309853

IUPAC2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol
SMILES[13CH3][13CH]([13CH3])N(CCO)[13CH]([13CH3])[13CH3]
InChIInChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3/i1+1,2+1,3+1,4+1,7+1,8+1
InChIKeyZYWUVGFIXPNBDL-UQUYMPKGSA-N
MW151.20 g/mol
LogP1.10
Rot. Bonds4

About 2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol

2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol (PubChem CID 71309853) has the molecular formula C8H19NO and a molecular weight of 151.20 g/mol. Its IUPAC name is 2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol
PubChem CID71309853
Molecular FormulaC8H19NO
Molecular Weight151.20 g/mol
Exact Mass151.17
IUPAC Name2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol
SMILES[13CH3][13CH]([13CH3])N(CCO)[13CH]([13CH3])[13CH3]
InChIInChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3/i1+1,2+1,3+1,4+1,7+1,8+1
InChIKeyZYWUVGFIXPNBDL-UQUYMPKGSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol?
The IUPAC name of 2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol (CID 71309853) is 2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol?
The canonical SMILES for 2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol is [13CH3][13CH]([13CH3])N(CCO)[13CH]([13CH3])[13CH3].
What is the InChIKey of 2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol?
The InChIKey is ZYWUVGFIXPNBDL-UQUYMPKGSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3/i1+1,2+1,3+1,4+1,7+1,8+1.
What are the key properties of 2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol?
2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol has a molecular weight of 151.20 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di((1,2,3-13C3)propan-2-yl)amino]ethanol is sourced from PubChem (CID 71309853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).