N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine

C16H36N2O — CID 19822699

IUPACN-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)OC(C)N(C(C)C)C(C)C
InChIInChI=1S/C16H36N2O/c1-11(2)17(12(3)4)15(9)19-16(10)18(13(5)6)14(7)8/h11-16H,1-10H3
InChIKeyFQRZDRBFPCELOP-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.93
Rot. Bonds8

About N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 19822699) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID19822699
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)OC(C)N(C(C)C)C(C)C
InChIInChI=1S/C16H36N2O/c1-11(2)17(12(3)4)15(9)19-16(10)18(13(5)6)14(7)8/h11-16H,1-10H3
InChIKeyFQRZDRBFPCELOP-UHFFFAOYSA-N
XLogP3.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.93
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-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 19822699) is N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)C(C)OC(C)N(C(C)C)C(C)C.
What is the InChIKey of N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is FQRZDRBFPCELOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-11(2)17(12(3)4)15(9)19-16(10)18(13(5)6)14(7)8/h11-16H,1-10H3.
What are the key properties of N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 272.48 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 19822699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).