2-(2-methylbutylamino)propane-1,3-diol

C8H19NO2 — CID 65312864

IUPAC2-(2-methylbutylamino)propane-1,3-diol
SMILESCCC(C)CNC(CO)CO
InChIInChI=1S/C8H19NO2/c1-3-7(2)4-9-8(5-10)6-11/h7-11H,3-6H2,1-2H3
InChIKeyLEGFQSRLFNKTRL-UHFFFAOYSA-N
MW161.24 g/mol
LogP-0.02
Rot. Bonds6

About 2-(2-methylbutylamino)propane-1,3-diol

2-(2-methylbutylamino)propane-1,3-diol (PubChem CID 65312864) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(2-methylbutylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-methylbutylamino)propane-1,3-diol
PubChem CID65312864
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(2-methylbutylamino)propane-1,3-diol
SMILESCCC(C)CNC(CO)CO
InChIInChI=1S/C8H19NO2/c1-3-7(2)4-9-8(5-10)6-11/h7-11H,3-6H2,1-2H3
InChIKeyLEGFQSRLFNKTRL-UHFFFAOYSA-N
XLogP-0.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylamino)propane-1,3-diol?
The IUPAC name of 2-(2-methylbutylamino)propane-1,3-diol (CID 65312864) is 2-(2-methylbutylamino)propane-1,3-diol.
What is the SMILES notation for 2-(2-methylbutylamino)propane-1,3-diol?
The canonical SMILES for 2-(2-methylbutylamino)propane-1,3-diol is CCC(C)CNC(CO)CO.
What is the InChIKey of 2-(2-methylbutylamino)propane-1,3-diol?
The InChIKey is LEGFQSRLFNKTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-7(2)4-9-8(5-10)6-11/h7-11H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylbutylamino)propane-1,3-diol?
2-(2-methylbutylamino)propane-1,3-diol has a molecular weight of 161.24 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylamino)propane-1,3-diol is sourced from PubChem (CID 65312864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).