5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol

C12H27NO3 — CID 106160001

IUPAC5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCC(O)COC(C)C
InChIInChI=1S/C12H27NO3/c1-10(2)16-9-12(15)7-13-6-4-5-11(3)8-14/h10-15H,4-9H2,1-3H3
InChIKeyVSPKZJGXEIQPPM-UHFFFAOYSA-N
MW233.35 g/mol
LogP0.77
Rot. Bonds10

About 5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol

5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol (PubChem CID 106160001) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
PubChem CID106160001
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCC(O)COC(C)C
InChIInChI=1S/C12H27NO3/c1-10(2)16-9-12(15)7-13-6-4-5-11(3)8-14/h10-15H,4-9H2,1-3H3
InChIKeyVSPKZJGXEIQPPM-UHFFFAOYSA-N
XLogP0.77
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol
CID 62273506
5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 114151870
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
CID 106160109
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160350
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
methyl 3-[(5-hydroxy-4-methylpentyl)amino]-2-methylpropanoate
CID 106160216
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
3-methyl-4-(2-propan-2-yloxyethylamino)butan-1-ol
CID 66109201
1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
CID 60649306

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol (CID 106160001) is 5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol is CC(CO)CCCNCC(O)COC(C)C.
What is the InChIKey of 5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol?
The InChIKey is VSPKZJGXEIQPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-10(2)16-9-12(15)7-13-6-4-5-11(3)8-14/h10-15H,4-9H2,1-3H3.
What are the key properties of 5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol?
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 0.77, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106160001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).