3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine

C12H28N2O — CID 20603113

IUPAC3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine
SMILESCC(COCC(C)CN(C)C)CN(C)C
InChIInChI=1S/C12H28N2O/c1-11(7-13(3)4)9-15-10-12(2)8-14(5)6/h11-12H,7-10H2,1-6H3
InChIKeyNEFYIKNEKASSTO-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.40
Rot. Bonds8

About 3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine

3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine (PubChem CID 20603113) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine
PubChem CID20603113
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine
SMILESCC(COCC(C)CN(C)C)CN(C)C
InChIInChI=1S/C12H28N2O/c1-11(7-13(3)4)9-15-10-12(2)8-14(5)6/h11-12H,7-10H2,1-6H3
InChIKeyNEFYIKNEKASSTO-UHFFFAOYSA-N
XLogP1.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide
CID 46899
1-Propanamine, 3-(2-(dimethylamino)ethoxy)-N,N-dimethyl-
CID 118728
1-Propanamine, 3,3'-oxybis[N,N-dimethyl-
CID 12295923
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium
CID 46898
Trimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 46900
N-ethyl-3-(1-fluoropropoxy)-N,2-dimethylpropan-1-amine
CID 144384726
N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine
CID 156802611
N,N-Dimethyl-3-butoxypropylamine
CID 547393
N,N-Dimethyl-3-tert-butoxypropylamine
CID 547395
Triethyl-[3-[3-[ethyl(dimethyl)azaniumyl]propoxy]propyl]azanium
CID 45803
Diethyl-methyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 45818

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine (CID 20603113) is 3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine is CC(COCC(C)CN(C)C)CN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine?
The InChIKey is NEFYIKNEKASSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(7-13(3)4)9-15-10-12(2)8-14(5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine?
3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2-methylpropoxy]-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 20603113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).