4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol

C9H21NO3 — CID 134403228

IUPAC4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol
SMILESCC(C)(C)OC(O)NCCCCO
InChIInChI=1S/C9H21NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h8,10-12H,4-7H2,1-3H3
InChIKeyAZHKDHLMFWLEHP-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.44
Rot. Bonds6

About 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol

4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol (PubChem CID 134403228) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol
PubChem CID134403228
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol
SMILESCC(C)(C)OC(O)NCCCCO
InChIInChI=1S/C9H21NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h8,10-12H,4-7H2,1-3H3
InChIKeyAZHKDHLMFWLEHP-UHFFFAOYSA-N
XLogP0.44
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol
CID 153489696
4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid
CID 126571794
6-(1-hydroxyethylamino)hexan-1-ol
CID 57216176
4-(propan-2-ylamino)butan-1-ol
CID 12950986
3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349643
5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol
CID 107317289
butane-1,4-diol;2,2-dimethylpropane-1,1-diol
CID 141408559
4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol
CID 106841291
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
methyl (2S)-2-amino-3-[[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]propanoate
CID 58674394
N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine
CID 123202708

Frequently Asked Questions

What is the IUPAC name of 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol?
The IUPAC name of 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol (CID 134403228) is 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol?
The canonical SMILES for 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol is CC(C)(C)OC(O)NCCCCO.
What is the InChIKey of 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol?
The InChIKey is AZHKDHLMFWLEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol?
4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol is sourced from PubChem (CID 134403228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).