3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol

C14H34N2O3 — CID 159453703

IUPAC3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol
SMILESCC(C)(C)NCC(O)CO.CC(C)(C)NCCCO
InChIInChI=1S/C7H17NO2.C7H17NO/c1-7(2,3)8-4-6(10)5-9;1-7(2,3)8-5-4-6-9/h6,8-10H,4-5H2,1-3H3;8-9H,4-6H2,1-3H3
InChIKeyLTRVKCPUDKOBAG-UHFFFAOYSA-N
MW278.44 g/mol
LogP0.48
Rot. Bonds6

About 3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol

3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol (PubChem CID 159453703) has the molecular formula C14H34N2O3 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol.

Molecular Properties

Compound Name3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol
PubChem CID159453703
Molecular FormulaC14H34N2O3
Molecular Weight278.44 g/mol
Exact Mass278.26
IUPAC Name3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol
SMILESCC(C)(C)NCC(O)CO.CC(C)(C)NCCCO
InChIInChI=1S/C7H17NO2.C7H17NO/c1-7(2,3)8-4-6(10)5-9;1-7(2,3)8-5-4-6-9/h6,8-10H,4-5H2,1-3H3;8-9H,4-6H2,1-3H3
InChIKeyLTRVKCPUDKOBAG-UHFFFAOYSA-N
XLogP0.48
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 159274393
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CID 93383134
1-amino-3-(tert-butylamino)propan-2-ol
CID 3016525
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246
3-(7-methyltridecan-7-ylamino)propane-1,2-diol
CID 130426560
1-(tert-butylamino)octan-2-ol
CID 62774713
(5S)-1-(tert-butylamino)decan-5-ol
CID 118890098
1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
2-[3-(tert-butylamino)propoxy]ethanol
CID 150900173
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride
CID 44723542

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol?
The IUPAC name of 3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol (CID 159453703) is 3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol.
What is the SMILES notation for 3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol?
The canonical SMILES for 3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol is CC(C)(C)NCC(O)CO.CC(C)(C)NCCCO.
What is the InChIKey of 3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol?
The InChIKey is LTRVKCPUDKOBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2.C7H17NO/c1-7(2,3)8-4-6(10)5-9;1-7(2,3)8-5-4-6-9/h6,8-10H,4-5H2,1-3H3;8-9H,4-6H2,1-3H3.
What are the key properties of 3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol?
3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 0.48, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)propane-1,2-diol;3-(tert-butylamino)propan-1-ol is sourced from PubChem (CID 159453703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).