5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol

C15H33NO3 — CID 91430650

IUPAC5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol
SMILESCCC(C)CC(C)NCC(O)COCCCCCO
InChIInChI=1S/C15H33NO3/c1-4-13(2)10-14(3)16-11-15(18)12-19-9-7-5-6-8-17/h13-18H,4-12H2,1-3H3
InChIKeyMQRWTOYOVFIKPP-UHFFFAOYSA-N
MW275.43 g/mol
LogP1.94
Rot. Bonds13

About 5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol

5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol (PubChem CID 91430650) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol
PubChem CID91430650
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol
SMILESCCC(C)CC(C)NCC(O)COCCCCCO
InChIInChI=1S/C15H33NO3/c1-4-13(2)10-14(3)16-11-15(18)12-19-9-7-5-6-8-17/h13-18H,4-12H2,1-3H3
InChIKeyMQRWTOYOVFIKPP-UHFFFAOYSA-N
XLogP1.94
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 51.94
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

(2R,3S)-5-methyl-1-(2-methylpropylamino)hexane-2,3-diol
CID 53641959
[3-(Butylamino)-4,5-dimethyloxolan-2-yl]methanol
CID 59097618
1-(2-Ethylhexoxy)-3-(2-methylbutylamino)propan-2-ol
CID 59132944
1-Ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol
CID 59264316
1-(2-Ethylhexoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 59642188
1-Butoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 107262490
3-(Methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol
CID 123789565
3-(3,5-Dimethylhexan-2-ylamino)-2-methylpentane-1,4-diol
CID 123884834
1-(Butylamino)-3-(4-methylhexoxy)propan-2-ol
CID 140137410
1-(Cyclohexylamino)-1-(4-methylhexoxy)propan-2-ol
CID 140137480
5-Methyl-1-(propan-2-ylamino)heptane-2,3-diol
CID 141542667
(2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol
CID 142045829

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol?
The IUPAC name of 5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol (CID 91430650) is 5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol?
The canonical SMILES for 5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol is CCC(C)CC(C)NCC(O)COCCCCCO.
What is the InChIKey of 5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol?
The InChIKey is MQRWTOYOVFIKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-4-13(2)10-14(3)16-11-15(18)12-19-9-7-5-6-8-17/h13-18H,4-12H2,1-3H3.
What are the key properties of 5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol?
5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol has a molecular weight of 275.43 g/mol, XLogP of 1.94, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol is sourced from PubChem (CID 91430650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).