N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine

C16H36N2O2 — CID 103228941

IUPACN-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)OCCN(C(C)C)C(C)C
InChIInChI=1S/C16H36N2O2/c1-13(2)18(14(3)4)9-10-20-15(12-19-8)11-17-16(5,6)7/h13-15,17H,9-12H2,1-8H3
InChIKeyJBYQUOXWJKYFTC-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.52
Rot. Bonds10

About N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine

N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine (PubChem CID 103228941) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine
PubChem CID103228941
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC NameN-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)OCCN(C(C)C)C(C)C
InChIInChI=1S/C16H36N2O2/c1-13(2)18(14(3)4)9-10-20-15(12-19-8)11-17-16(5,6)7/h13-15,17H,9-12H2,1-8H3
InChIKeyJBYQUOXWJKYFTC-UHFFFAOYSA-N
XLogP2.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine (CID 103228941) is N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine is COCC(CNC(C)(C)C)OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine?
The InChIKey is JBYQUOXWJKYFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-13(2)18(14(3)4)9-10-20-15(12-19-8)11-17-16(5,6)7/h13-15,17H,9-12H2,1-8H3.
What are the key properties of N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine?
N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103228941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).