N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine

C9H22N2O — CID 130216361

IUPACN-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)COCCN(C)C
InChIInChI=1S/C9H22N2O/c1-9(2)11(5)8-12-7-6-10(3)4/h9H,6-8H2,1-5H3
InChIKeyBVKQVTMALHPOAX-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.86
Rot. Bonds6

About N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine

N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine (PubChem CID 130216361) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine
PubChem CID130216361
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)COCCN(C)C
InChIInChI=1S/C9H22N2O/c1-9(2)11(5)8-12-7-6-10(3)4/h9H,6-8H2,1-5H3
InChIKeyBVKQVTMALHPOAX-UHFFFAOYSA-N
XLogP0.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine (CID 130216361) is N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine is CC(C)N(C)COCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine?
The InChIKey is BVKQVTMALHPOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-9(2)11(5)8-12-7-6-10(3)4/h9H,6-8H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine?
N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine has a molecular weight of 174.29 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethoxymethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 130216361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).