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

C9H21NO2 — CID 75525332

IUPAC2-methyl-2-(2-methylbutylamino)propane-1,3-diol
SMILESCCC(C)CNC(C)(CO)CO
InChIInChI=1S/C9H21NO2/c1-4-8(2)5-10-9(3,6-11)7-12/h8,10-12H,4-7H2,1-3H3
InChIKeyNUVQMNXJXIZTOS-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.37
Rot. Bonds6

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

2-methyl-2-(2-methylbutylamino)propane-1,3-diol (PubChem CID 75525332) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-methyl-2-(2-methylbutylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-(2-methylbutylamino)propane-1,3-diol
PubChem CID75525332
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-methyl-2-(2-methylbutylamino)propane-1,3-diol
SMILESCCC(C)CNC(C)(CO)CO
InChIInChI=1S/C9H21NO2/c1-4-8(2)5-10-9(3,6-11)7-12/h8,10-12H,4-7H2,1-3H3
InChIKeyNUVQMNXJXIZTOS-UHFFFAOYSA-N
XLogP0.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol
CID 97358418
2-methyl-2-(2-methylbutylamino)propan-1-ol
CID 43207248
2-(hydroxymethyl)-2-(2-methylbutylamino)propane-1,3-diol
CID 107850968
2-ethyl-2-(2-methylbutylamino)propane-1,3-diol
CID 103897103
(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol
CID 88673624
2-methyl-2-(2-methylpropylamino)pentan-1-ol
CID 61054736
2-(2-hydroxybutylamino)-2-methylbutan-1-ol
CID 64548924
2-(2-methylbutylamino)-2-phenylpropan-1-ol
CID 115687949
2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine
CID 101446483
2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol
CID 61054540
2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
CID 103922999
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylbutylamino)propane-1,3-diol?
The IUPAC name of 2-methyl-2-(2-methylbutylamino)propane-1,3-diol (CID 75525332) is 2-methyl-2-(2-methylbutylamino)propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-(2-methylbutylamino)propane-1,3-diol?
The canonical SMILES for 2-methyl-2-(2-methylbutylamino)propane-1,3-diol is CCC(C)CNC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-(2-methylbutylamino)propane-1,3-diol?
The InChIKey is NUVQMNXJXIZTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-8(2)5-10-9(3,6-11)7-12/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylbutylamino)propane-1,3-diol?
2-methyl-2-(2-methylbutylamino)propane-1,3-diol has a molecular weight of 175.27 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylbutylamino)propane-1,3-diol is sourced from PubChem (CID 75525332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).