2-[amino(propan-2-yl)amino]propane-1,3-diol

C6H16N2O2 — CID 130198697

IUPAC2-[amino(propan-2-yl)amino]propane-1,3-diol
SMILESCC(C)N(N)C(CO)CO
InChIInChI=1S/C6H16N2O2/c1-5(2)8(7)6(3-9)4-10/h5-6,9-10H,3-4,7H2,1-2H3
InChIKeyYRHPSGWLZFFMGE-UHFFFAOYSA-N
MW148.21 g/mol
LogP-1.08
Rot. Bonds4

About 2-[amino(propan-2-yl)amino]propane-1,3-diol

2-[amino(propan-2-yl)amino]propane-1,3-diol (PubChem CID 130198697) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-[amino(propan-2-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[amino(propan-2-yl)amino]propane-1,3-diol
PubChem CID130198697
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name2-[amino(propan-2-yl)amino]propane-1,3-diol
SMILESCC(C)N(N)C(CO)CO
InChIInChI=1S/C6H16N2O2/c1-5(2)8(7)6(3-9)4-10/h5-6,9-10H,3-4,7H2,1-2H3
InChIKeyYRHPSGWLZFFMGE-UHFFFAOYSA-N
XLogP-1.08
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-[amino(propan-2-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[amino(propan-2-yl)amino]propane-1,3-diol (CID 130198697) is 2-[amino(propan-2-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[amino(propan-2-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[amino(propan-2-yl)amino]propane-1,3-diol is CC(C)N(N)C(CO)CO.
What is the InChIKey of 2-[amino(propan-2-yl)amino]propane-1,3-diol?
The InChIKey is YRHPSGWLZFFMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-5(2)8(7)6(3-9)4-10/h5-6,9-10H,3-4,7H2,1-2H3.
What are the key properties of 2-[amino(propan-2-yl)amino]propane-1,3-diol?
2-[amino(propan-2-yl)amino]propane-1,3-diol has a molecular weight of 148.21 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(propan-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 130198697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).