3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol

C9H21NO2 — CID 106932322

IUPAC3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNC[C@@H](C)O
InChIInChI=1S/C9H21NO2/c1-3-9(4-5-11)7-10-6-8(2)12/h8-12H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyNACJSVVOWGYQNP-VEDVMXKPSA-N
MW175.27 g/mol
LogP0.37
Rot. Bonds7

About 3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol

3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol (PubChem CID 106932322) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
PubChem CID106932322
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNC[C@@H](C)O
InChIInChI=1S/C9H21NO2/c1-3-9(4-5-11)7-10-6-8(2)12/h8-12H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyNACJSVVOWGYQNP-VEDVMXKPSA-N
XLogP0.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol
CID 107442461
1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
butan-2-ol;1-(2-hydroxypropylamino)-4-methylpentan-2-ol
CID 158990832
1-(2-ethylpentylamino)pentan-2-ol
CID 163393194
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol
CID 114493384
2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol
CID 22218619
2-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 62515552
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
1-(hydroxymethylamino)propan-2-ol
CID 3018672
3,5,8-triethyldecane-1,10-diol
CID 87065848

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol (CID 106932322) is 3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol is CCC(CCO)CNC[C@@H](C)O.
What is the InChIKey of 3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol?
The InChIKey is NACJSVVOWGYQNP-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-9(4-5-11)7-10-6-8(2)12/h8-12H,3-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of 3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol?
3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 106932322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).