N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine

C16H36N2O — CID 162353469

IUPACN-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine
SMILESCC(OC(C)N(C)CC(C)(C)C)N(C)CC(C)(C)C
InChIInChI=1S/C16H36N2O/c1-13(17(9)11-15(3,4)5)19-14(2)18(10)12-16(6,7)8/h13-14H,11-12H2,1-10H3
InChIKeyCFTBXZLGFKSXDQ-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.65
Rot. Bonds6

About N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine

N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine (PubChem CID 162353469) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine
PubChem CID162353469
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine
SMILESCC(OC(C)N(C)CC(C)(C)C)N(C)CC(C)(C)C
InChIInChI=1S/C16H36N2O/c1-13(17(9)11-15(3,4)5)19-14(2)18(10)12-16(6,7)8/h13-14H,11-12H2,1-10H3
InChIKeyCFTBXZLGFKSXDQ-UHFFFAOYSA-N
XLogP3.65
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine?
The IUPAC name of N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine (CID 162353469) is N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine is CC(OC(C)N(C)CC(C)(C)C)N(C)CC(C)(C)C.
What is the InChIKey of N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine?
The InChIKey is CFTBXZLGFKSXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-13(17(9)11-15(3,4)5)19-14(2)18(10)12-16(6,7)8/h13-14H,11-12H2,1-10H3.
What are the key properties of N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine?
N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 162353469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).