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

C8H19NO2 — CID 58586490

IUPAC3-(2-methylbutylamino)propane-1,2-diol
SMILESCCC(C)CNCC(O)CO
InChIInChI=1S/C8H19NO2/c1-3-7(2)4-9-5-8(11)6-10/h7-11H,3-6H2,1-2H3
InChIKeyRFBDJQINPIFOLE-UHFFFAOYSA-N
MW161.25 g/mol
LogP-0.02
Rot. Bonds6

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

3-(2-methylbutylamino)propane-1,2-diol (PubChem CID 58586490) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-(2-methylbutylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-methylbutylamino)propane-1,2-diol
PubChem CID58586490
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name3-(2-methylbutylamino)propane-1,2-diol
SMILESCCC(C)CNCC(O)CO
InChIInChI=1S/C8H19NO2/c1-3-7(2)4-9-5-8(11)6-10/h7-11H,3-6H2,1-2H3
InChIKeyRFBDJQINPIFOLE-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 ≤ 500161.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
CID 88540594
3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol
CID 58586497
3-[(3-methoxy-2-methylpropyl)amino]propane-1,2-diol
CID 76929562
1-(2-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 62692862
2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
1-(2-methylbutylamino)pentan-3-ol
CID 115887931
1,3-bis[(4-ethyl-2-methylhexyl)amino]propan-2-ol
CID 58325451
(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
CID 59084986

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutylamino)propane-1,2-diol?
The IUPAC name of 3-(2-methylbutylamino)propane-1,2-diol (CID 58586490) is 3-(2-methylbutylamino)propane-1,2-diol.
What is the SMILES notation for 3-(2-methylbutylamino)propane-1,2-diol?
The canonical SMILES for 3-(2-methylbutylamino)propane-1,2-diol is CCC(C)CNCC(O)CO.
What is the InChIKey of 3-(2-methylbutylamino)propane-1,2-diol?
The InChIKey is RFBDJQINPIFOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-7(2)4-9-5-8(11)6-10/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylbutylamino)propane-1,2-diol?
3-(2-methylbutylamino)propane-1,2-diol has a molecular weight of 161.25 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 3-(2-methylbutylamino)propane-1,2-diol is sourced from PubChem (CID 58586490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).