2-(hydroxymethylamino)hexan-3-ol

C7H17NO2 — CID 87770295

IUPAC2-(hydroxymethylamino)hexan-3-ol
SMILESCCCC(O)C(C)NCO
InChIInChI=1S/C7H17NO2/c1-3-4-7(10)6(2)8-5-9/h6-10H,3-5H2,1-2H3
InChIKeyRDAXMUWGVJVRHT-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.08
Rot. Bonds5

About 2-(hydroxymethylamino)hexan-3-ol

2-(hydroxymethylamino)hexan-3-ol (PubChem CID 87770295) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-(hydroxymethylamino)hexan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethylamino)hexan-3-ol
PubChem CID87770295
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-(hydroxymethylamino)hexan-3-ol
SMILESCCCC(O)C(C)NCO
InChIInChI=1S/C7H17NO2/c1-3-4-7(10)6(2)8-5-9/h6-10H,3-5H2,1-2H3
InChIKeyRDAXMUWGVJVRHT-UHFFFAOYSA-N
XLogP0.08
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexane-2,3-diol
CID 159913798
octane-4,5-diol;hydrate
CID 141056272
(2S,3R)-2-(dodecylamino)octadecan-3-ol
CID 139552165
decane-4,5,6,7-tetrol
CID 73238857
(2S,3S)-2-aminohexan-3-ol
CID 55285025
octane-1,3,4,5-tetrol
CID 18506400
2-amino-3-ethylheptan-4-ol
CID 146264910
5-propan-2-yloctan-4-ol
CID 23385171
1-(methylamino)pentane-1,2-diol
CID 57263326
(4S,5R)-5-propan-2-yloctan-4-ol
CID 59911289
tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
CID 87514848

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethylamino)hexan-3-ol?
The IUPAC name of 2-(hydroxymethylamino)hexan-3-ol (CID 87770295) is 2-(hydroxymethylamino)hexan-3-ol.
What is the SMILES notation for 2-(hydroxymethylamino)hexan-3-ol?
The canonical SMILES for 2-(hydroxymethylamino)hexan-3-ol is CCCC(O)C(C)NCO.
What is the InChIKey of 2-(hydroxymethylamino)hexan-3-ol?
The InChIKey is RDAXMUWGVJVRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-4-7(10)6(2)8-5-9/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-(hydroxymethylamino)hexan-3-ol?
2-(hydroxymethylamino)hexan-3-ol has a molecular weight of 147.22 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethylamino)hexan-3-ol is sourced from PubChem (CID 87770295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).