N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine

C12H27NO — CID 58171919

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CCOC(C)(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-7-8-13(11(2)3)9-10-14-12(4,5)6/h11H,7-10H2,1-6H3
InChIKeyOPDHUZAUIFDCOP-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.92
Rot. Bonds6

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine (PubChem CID 58171919) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine
PubChem CID58171919
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CCOC(C)(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-7-8-13(11(2)3)9-10-14-12(4,5)6/h11H,7-10H2,1-6H3
InChIKeyOPDHUZAUIFDCOP-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine (CID 58171919) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine is CCCN(CCOC(C)(C)C)C(C)C.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is OPDHUZAUIFDCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-8-13(11(2)3)9-10-14-12(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 58171919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).