1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol

C11H26N2O2 — CID 118555469

IUPAC1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCCCNCC(C)(C)O
InChIInChI=1S/C11H26N2O2/c1-10(2,14)8-12-6-5-7-13-9-11(3,4)15/h12-15H,5-9H2,1-4H3
InChIKeyNNLOJXAHDMWTAX-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.10
Rot. Bonds8

About 1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol

1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol (PubChem CID 118555469) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol
PubChem CID118555469
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCCCNCC(C)(C)O
InChIInChI=1S/C11H26N2O2/c1-10(2,14)8-12-6-5-7-13-9-11(3,4)15/h12-15H,5-9H2,1-4H3
InChIKeyNNLOJXAHDMWTAX-UHFFFAOYSA-N
XLogP0.10
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol (CID 118555469) is 1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol is CC(C)(O)CNCCCNCC(C)(C)O.
What is the InChIKey of 1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol?
The InChIKey is NNLOJXAHDMWTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-10(2,14)8-12-6-5-7-13-9-11(3,4)15/h12-15H,5-9H2,1-4H3.
What are the key properties of 1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol?
1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 0.10, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 118555469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).