N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine

C12H28N2O — CID 62460782

IUPACN-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine
SMILESCN(C)CCCOCCCNC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-12(2,3)13-8-6-10-15-11-7-9-14(4)5/h13H,6-11H2,1-5H3
InChIKeyWMXZMCFCCMPPPK-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds8

About N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine

N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine (PubChem CID 62460782) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine
PubChem CID62460782
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine
SMILESCN(C)CCCOCCCNC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-12(2,3)13-8-6-10-15-11-7-9-14(4)5/h13H,6-11H2,1-5H3
InChIKeyWMXZMCFCCMPPPK-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
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 N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine (CID 62460782) is N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine is CN(C)CCCOCCCNC(C)(C)C.
What is the InChIKey of N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is WMXZMCFCCMPPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-12(2,3)13-8-6-10-15-11-7-9-14(4)5/h13H,6-11H2,1-5H3.
What are the key properties of N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine?
N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62460782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).