1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol

C9H22N2O — CID 39236552

IUPAC1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol
SMILESCN(C)CCCNCC(C)(C)O
InChIInChI=1S/C9H22N2O/c1-9(2,12)8-10-6-5-7-11(3)4/h10,12H,5-8H2,1-4H3
InChIKeyNNBLQORISLUGLK-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.30
Rot. Bonds6

About 1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol

1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol (PubChem CID 39236552) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol
PubChem CID39236552
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol
SMILESCN(C)CCCNCC(C)(C)O
InChIInChI=1S/C9H22N2O/c1-9(2,12)8-10-6-5-7-11(3)4/h10,12H,5-8H2,1-4H3
InChIKeyNNBLQORISLUGLK-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)propylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol (CID 39236552) is 1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol is CN(C)CCCNCC(C)(C)O.
What is the InChIKey of 1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol?
The InChIKey is NNBLQORISLUGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-9(2,12)8-10-6-5-7-11(3)4/h10,12H,5-8H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol?
1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol has a molecular weight of 174.29 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 39236552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).