1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol

C8H20N2O3 — CID 87837706

IUPAC1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol
SMILESCC(O)(CN)COCC(C)(O)CN
InChIInChI=1S/C8H20N2O3/c1-7(11,3-9)5-13-6-8(2,12)4-10/h11-12H,3-6,9-10H2,1-2H3
InChIKeyYPCCNUFXKFIBOT-UHFFFAOYSA-N
MW192.26 g/mol
LogP-1.58
Rot. Bonds6

About 1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol

1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol (PubChem CID 87837706) has the molecular formula C8H20N2O3 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol
PubChem CID87837706
Molecular FormulaC8H20N2O3
Molecular Weight192.26 g/mol
Exact Mass192.15
IUPAC Name1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol
SMILESCC(O)(CN)COCC(C)(O)CN
InChIInChI=1S/C8H20N2O3/c1-7(11,3-9)5-13-6-8(2,12)4-10/h11-12H,3-6,9-10H2,1-2H3
InChIKeyYPCCNUFXKFIBOT-UHFFFAOYSA-N
XLogP-1.58
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-Amino-3-(tert-butoxy)propan-2-ol
CID 19012483
1-Amino-3-methoxy-2-methylpropan-2-ol
CID 54592891
1-(2-Aminoethoxy)-2-methylpropan-2-ol hydrochloride
CID 86645446
1-(2-Aminoethoxy)-2-methylpropan-2-ol
CID 22924906
1-Amino-2-methyl-3-(4,4,4-trifluorobutoxy)propan-2-ol
CID 82794526
(S)-1-amino-3-methoxy-2-methyl-2-propanol
CID 52357485
2-[(1-Amino-2-methylpropan-2-yl)oxy]ethan-1-ol
CID 20137374
1-Amino-1-ethoxy-2-methylpropan-2-ol
CID 21115298
(2S)-1-amino-3-(tert-butoxy)propan-2-ol
CID 29000822
(2R)-1-amino-3-(tert-butoxy)propan-2-ol
CID 29000826
(2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol
CID 29000869
1-Amino-3-(2-methylbutan-2-yloxy)propan-2-ol
CID 43128022

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol (CID 87837706) is 1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol is CC(O)(CN)COCC(C)(O)CN.
What is the InChIKey of 1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol?
The InChIKey is YPCCNUFXKFIBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3/c1-7(11,3-9)5-13-6-8(2,12)4-10/h11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol?
1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol has a molecular weight of 192.26 g/mol, XLogP of -1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 87837706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).