3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol

C7H18N2O2 — CID 56623149

IUPAC3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(N)C(C)(C)O
InChIInChI=1S/C7H18N2O2/c1-6(5-10)4-9(8)7(2,3)11/h6,10-11H,4-5,8H2,1-3H3
InChIKeyDWSBRRXCZDYVCH-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.48
Rot. Bonds4

About 3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol

3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 56623149) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol
PubChem CID56623149
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(N)C(C)(C)O
InChIInChI=1S/C7H18N2O2/c1-6(5-10)4-9(8)7(2,3)11/h6,10-11H,4-5,8H2,1-3H3
InChIKeyDWSBRRXCZDYVCH-UHFFFAOYSA-N
XLogP-0.48
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol (CID 56623149) is 3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol is CC(CO)CN(N)C(C)(C)O.
What is the InChIKey of 3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol?
The InChIKey is DWSBRRXCZDYVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-6(5-10)4-9(8)7(2,3)11/h6,10-11H,4-5,8H2,1-3H3.
What are the key properties of 3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol?
3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol has a molecular weight of 162.23 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(2-hydroxypropan-2-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 56623149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).