2-(methylamino)pentane-1,4-diol

C6H15NO2 — CID 90884823

IUPAC2-(methylamino)pentane-1,4-diol
SMILESCNC(CO)CC(C)O
InChIInChI=1S/C6H15NO2/c1-5(9)3-6(4-8)7-2/h5-9H,3-4H2,1-2H3
InChIKeyJJKVIXZUUYPKBK-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.66
Rot. Bonds4

About 2-(methylamino)pentane-1,4-diol

2-(methylamino)pentane-1,4-diol (PubChem CID 90884823) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-(methylamino)pentane-1,4-diol.

Molecular Properties

Compound Name2-(methylamino)pentane-1,4-diol
PubChem CID90884823
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-(methylamino)pentane-1,4-diol
SMILESCNC(CO)CC(C)O
InChIInChI=1S/C6H15NO2/c1-5(9)3-6(4-8)7-2/h5-9H,3-4H2,1-2H3
InChIKeyJJKVIXZUUYPKBK-UHFFFAOYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-3-propan-2-yloxypropan-1-ol
CID 64803823
N-(1,4-dihydroxypentan-2-yl)-2,2,2-trifluoroacetamide
CID 123267888
propane-1,2-diol
CID 23506506
2-(methylamino)-3-[methyl(propan-2-yl)amino]propan-1-ol
CID 64797175
CID 160650971
CID 160650971
tris(pentane-2,4-diol);ruthenium
CID 5231187
copper bis(pentane-2,4-diol)
CID 135036707
europium;tetrakis(pentane-2,4-diol)
CID 59946569
iron(2+);bis(pentane-2,4-diol)
CID 161218003
palladium;bis(pentane-2,4-diol)
CID 58773675
propane-1,2-diol;silver
CID 158521790
2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol
CID 64797210

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)pentane-1,4-diol?
The IUPAC name of 2-(methylamino)pentane-1,4-diol (CID 90884823) is 2-(methylamino)pentane-1,4-diol.
What is the SMILES notation for 2-(methylamino)pentane-1,4-diol?
The canonical SMILES for 2-(methylamino)pentane-1,4-diol is CNC(CO)CC(C)O.
What is the InChIKey of 2-(methylamino)pentane-1,4-diol?
The InChIKey is JJKVIXZUUYPKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-5(9)3-6(4-8)7-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-(methylamino)pentane-1,4-diol?
2-(methylamino)pentane-1,4-diol has a molecular weight of 133.19 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)pentane-1,4-diol is sourced from PubChem (CID 90884823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).