2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine

C16H37N3O — CID 134444051

IUPAC2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCC(CN(C)C)OCC(C)(C)CCN(C)C
InChIInChI=1S/C16H37N3O/c1-14(2)17-11-15(12-19(7)8)20-13-16(3,4)9-10-18(5)6/h14-15,17H,9-13H2,1-8H3
InChIKeyIJPXYJONJBWDHX-UHFFFAOYSA-N
MW287.49 g/mol
LogP1.91
Rot. Bonds11

About 2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine

2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 134444051) has the molecular formula C16H37N3O and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID134444051
Molecular FormulaC16H37N3O
Molecular Weight287.49 g/mol
Exact Mass287.29
IUPAC Name2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCC(CN(C)C)OCC(C)(C)CCN(C)C
InChIInChI=1S/C16H37N3O/c1-14(2)17-11-15(12-19(7)8)20-13-16(3,4)9-10-18(5)6/h14-15,17H,9-13H2,1-8H3
InChIKeyIJPXYJONJBWDHX-UHFFFAOYSA-N
XLogP1.91
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine (CID 134444051) is 2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)NCC(CN(C)C)OCC(C)(C)CCN(C)C.
What is the InChIKey of 2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is IJPXYJONJBWDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3O/c1-14(2)17-11-15(12-19(7)8)20-13-16(3,4)9-10-18(5)6/h14-15,17H,9-13H2,1-8H3.
What are the key properties of 2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 287.49 g/mol, XLogP of 1.91, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2,2-dimethylbutoxy]-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 134444051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).