1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol

C8H20N2O3 — CID 22759128

IUPAC1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol
SMILESCC(C)(CO)NC(C)(CO)C(N)O
InChIInChI=1S/C8H20N2O3/c1-7(2,4-11)10-8(3,5-12)6(9)13/h6,10-13H,4-5,9H2,1-3H3
InChIKeyDRHLCONZFFGASP-UHFFFAOYSA-N
MW192.26 g/mol
LogP-1.62
Rot. Bonds5

About 1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol

1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol (PubChem CID 22759128) has the molecular formula C8H20N2O3 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol
PubChem CID22759128
Molecular FormulaC8H20N2O3
Molecular Weight192.26 g/mol
Exact Mass192.15
IUPAC Name1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol
SMILESCC(C)(CO)NC(C)(CO)C(N)O
InChIInChI=1S/C8H20N2O3/c1-7(2,4-11)10-8(3,5-12)6(9)13/h6,10-13H,4-5,9H2,1-3H3
InChIKeyDRHLCONZFFGASP-UHFFFAOYSA-N
XLogP-1.62
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol?
The IUPAC name of 1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol (CID 22759128) is 1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol is CC(C)(CO)NC(C)(CO)C(N)O.
What is the InChIKey of 1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol?
The InChIKey is DRHLCONZFFGASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3/c1-7(2,4-11)10-8(3,5-12)6(9)13/h6,10-13H,4-5,9H2,1-3H3.
What are the key properties of 1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol?
1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol has a molecular weight of 192.26 g/mol, XLogP of -1.62, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 22759128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).