6-amino-1-(diethylamino)hexane-2,3,5-triol

C10H24N2O3 — CID 19100456

IUPAC6-amino-1-(diethylamino)hexane-2,3,5-triol
SMILESCCN(CC)CC(O)C(O)CC(O)CN
InChIInChI=1S/C10H24N2O3/c1-3-12(4-2)7-10(15)9(14)5-8(13)6-11/h8-10,13-15H,3-7,11H2,1-2H3
InChIKeyBTUXRVRIDSABLC-UHFFFAOYSA-N
MW220.31 g/mol
LogP-1.24
Rot. Bonds8

About 6-amino-1-(diethylamino)hexane-2,3,5-triol

6-amino-1-(diethylamino)hexane-2,3,5-triol (PubChem CID 19100456) has the molecular formula C10H24N2O3 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-amino-1-(diethylamino)hexane-2,3,5-triol.

Molecular Properties

Compound Name6-amino-1-(diethylamino)hexane-2,3,5-triol
PubChem CID19100456
Molecular FormulaC10H24N2O3
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name6-amino-1-(diethylamino)hexane-2,3,5-triol
SMILESCCN(CC)CC(O)C(O)CC(O)CN
InChIInChI=1S/C10H24N2O3/c1-3-12(4-2)7-10(15)9(14)5-8(13)6-11/h8-10,13-15H,3-7,11H2,1-2H3
InChIKeyBTUXRVRIDSABLC-UHFFFAOYSA-N
XLogP-1.24
TPSA89.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-amino-3-(diethylamino)propan-2-ol
CID 7000197
1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol
CID 43273601
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893
1,4-bis(diethylamino)butane-1,3-diol
CID 91528509
2-(diethylamino)ethane-1,1-diol;hydrobromide
CID 175089044
(2S)-3-(diethylamino)-1,1-diethoxypropan-2-ol
CID 95562516
3-(diethylamino)propane-1,2-diol;hydrochloride
CID 174870807
1-amino-3-[5,5-dimethylhexyl(ethyl)amino]propan-2-ol
CID 58761117
1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64821124
1-amino-4-[4-[(3-amino-2-hydroxypropyl)-tetradecylamino]butyl]octadecan-2-ol
CID 148647551
1-amino-4-butyloctan-2-ol
CID 57288695
2-amino-3-(diethylamino)propan-1-ol
CID 57209208

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(diethylamino)hexane-2,3,5-triol?
The IUPAC name of 6-amino-1-(diethylamino)hexane-2,3,5-triol (CID 19100456) is 6-amino-1-(diethylamino)hexane-2,3,5-triol.
What is the SMILES notation for 6-amino-1-(diethylamino)hexane-2,3,5-triol?
The canonical SMILES for 6-amino-1-(diethylamino)hexane-2,3,5-triol is CCN(CC)CC(O)C(O)CC(O)CN.
What is the InChIKey of 6-amino-1-(diethylamino)hexane-2,3,5-triol?
The InChIKey is BTUXRVRIDSABLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3/c1-3-12(4-2)7-10(15)9(14)5-8(13)6-11/h8-10,13-15H,3-7,11H2,1-2H3.
What are the key properties of 6-amino-1-(diethylamino)hexane-2,3,5-triol?
6-amino-1-(diethylamino)hexane-2,3,5-triol has a molecular weight of 220.31 g/mol, XLogP of -1.24, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(diethylamino)hexane-2,3,5-triol is sourced from PubChem (CID 19100456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).