N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine

C16H28N2O — CID 112568841

IUPACN-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
SMILESCN(C)CCOCC(C)(C)CNCc1ccccc1
InChIInChI=1S/C16H28N2O/c1-16(2,14-19-11-10-18(3)4)13-17-12-15-8-6-5-7-9-15/h5-9,17H,10-14H2,1-4H3
InChIKeyZUJOIAINXFQTPT-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.38
Rot. Bonds9

About N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine

N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine (PubChem CID 112568841) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
PubChem CID112568841
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
SMILESCN(C)CCOCC(C)(C)CNCc1ccccc1
InChIInChI=1S/C16H28N2O/c1-16(2,14-19-11-10-18(3)4)13-17-12-15-8-6-5-7-9-15/h5-9,17H,10-14H2,1-4H3
InChIKeyZUJOIAINXFQTPT-UHFFFAOYSA-N
XLogP2.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.38
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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Related Compounds

N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
CID 112568802
N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 103034495
3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
CID 106938875
N-benzyl-3-(4-methoxybutoxy)-2,2-dimethylpropan-1-amine
CID 104648302
N-benzyl-2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 115925386
N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine
CID 115925354
2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide
CID 106938877
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
2,2-dimethyl-N-(2-methylpropyl)-3-(3-phenylpropoxy)propan-1-amine
CID 79626902
3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627569
N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine
CID 115925425
[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
CID 114127511

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine (CID 112568841) is N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine is CN(C)CCOCC(C)(C)CNCc1ccccc1.
What is the InChIKey of N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine?
The InChIKey is ZUJOIAINXFQTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,14-19-11-10-18(3)4)13-17-12-15-8-6-5-7-9-15/h5-9,17H,10-14H2,1-4H3.
What are the key properties of N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine?
N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 112568841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).