4-amino-4-(3-hydroxypropyl)octane-1,8-diol

C11H25NO3 — CID 87211822

IUPAC4-amino-4-(3-hydroxypropyl)octane-1,8-diol
SMILESNC(CCCO)(CCCO)CCCCO
InChIInChI=1S/C11H25NO3/c12-11(6-3-9-14,7-4-10-15)5-1-2-8-13/h13-15H,1-10,12H2
InChIKeyMZGDKFNQMUVSFP-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.39
Rot. Bonds10

About 4-amino-4-(3-hydroxypropyl)octane-1,8-diol

4-amino-4-(3-hydroxypropyl)octane-1,8-diol (PubChem CID 87211822) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 4-amino-4-(3-hydroxypropyl)octane-1,8-diol.

Molecular Properties

Compound Name4-amino-4-(3-hydroxypropyl)octane-1,8-diol
PubChem CID87211822
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name4-amino-4-(3-hydroxypropyl)octane-1,8-diol
SMILESNC(CCCO)(CCCO)CCCCO
InChIInChI=1S/C11H25NO3/c12-11(6-3-9-14,7-4-10-15)5-1-2-8-13/h13-15H,1-10,12H2
InChIKeyMZGDKFNQMUVSFP-UHFFFAOYSA-N
XLogP0.39
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-3-octadecylpentane-1,5-diol;hydrochloride
CID 173050553
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
2-amino-6-hydroxy-2-methylhexanoic acid
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CID 175591031
CID 175591031
2-amino-2-(16-aminohexadecyl)propane-1,3-diol
CID 89415252
2-[3-amino-3-[2-(2-hydroxyethoxy)ethyl]icosoxy]ethanol
CID 57295459
3-amino-3-[(Z)-docos-13-enyl]pentane-1,5-diol
CID 88667452
3-amino-3-(chloromethyl)pentane-1,5-diol
CID 56976862
11-decylhenicosan-11-amine
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tricosane-1,23-diol
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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3-hydroxypropyl)octane-1,8-diol?
The IUPAC name of 4-amino-4-(3-hydroxypropyl)octane-1,8-diol (CID 87211822) is 4-amino-4-(3-hydroxypropyl)octane-1,8-diol.
What is the SMILES notation for 4-amino-4-(3-hydroxypropyl)octane-1,8-diol?
The canonical SMILES for 4-amino-4-(3-hydroxypropyl)octane-1,8-diol is NC(CCCO)(CCCO)CCCCO.
What is the InChIKey of 4-amino-4-(3-hydroxypropyl)octane-1,8-diol?
The InChIKey is MZGDKFNQMUVSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c12-11(6-3-9-14,7-4-10-15)5-1-2-8-13/h13-15H,1-10,12H2.
What are the key properties of 4-amino-4-(3-hydroxypropyl)octane-1,8-diol?
4-amino-4-(3-hydroxypropyl)octane-1,8-diol has a molecular weight of 219.32 g/mol, XLogP of 0.39, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3-hydroxypropyl)octane-1,8-diol is sourced from PubChem (CID 87211822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).