3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine

C13H29NO — CID 58914692

IUPAC3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOC(C)(C)C
InChIInChI=1S/C13H29NO/c1-6-9-14(10-7-2)11-8-12-15-13(3,4)5/h6-12H2,1-5H3
InChIKeyDXGISIIIMVVLAF-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.31
Rot. Bonds8

About 3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine

3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine (PubChem CID 58914692) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine
PubChem CID58914692
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOC(C)(C)C
InChIInChI=1S/C13H29NO/c1-6-9-14(10-7-2)11-8-12-15-13(3,4)5/h6-12H2,1-5H3
InChIKeyDXGISIIIMVVLAF-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
N-ethyl-3-(1-fluoropropoxy)-N,2-dimethylpropan-1-amine
CID 144384726
N,N-bis(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 147298784
N-[3-(2-fluoroethoxy)propyl]-N,2-dimethylpropan-1-amine
CID 156802611
N,N-Dimethyl-3-isopropoxypropylamine
CID 547394
N,N-Dimethyl-3-tert-butoxypropylamine
CID 547395
Diethyl-methyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 45818
Ethyl-[3-[3-[ethyl(dimethyl)azaniumyl]propoxy]propyl]-dimethylazanium
CID 46896
N-ethyl-3-(1-fluoroethoxy)-N,2-dimethylpropan-1-amine
CID 145580018
3-Fluoro-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 157929389
3-ethoxy-N,N-dimethylbutan-1-amine
CID 12572546
3-ethoxy-N,N-di(propan-2-yl)propan-1-amine
CID 20165447

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine (CID 58914692) is 3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCOC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine?
The InChIKey is DXGISIIIMVVLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-9-14(10-7-2)11-8-12-15-13(3,4)5/h6-12H2,1-5H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine?
3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 58914692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).