N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine

C13H29NO — CID 134458448

IUPACN-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)(C)NC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C13H29NO/c1-11(2,3)14-13(7,8)9-10-15-12(4,5)6/h14H,9-10H2,1-8H3
InChIKeyLCEWHQIYBMMFFD-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds4

About N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine

N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 134458448) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID134458448
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)(C)NC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C13H29NO/c1-11(2,3)14-13(7,8)9-10-15-12(4,5)6/h14H,9-10H2,1-8H3
InChIKeyLCEWHQIYBMMFFD-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 134458448) is N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine is CC(C)(C)NC(C)(C)CCOC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is LCEWHQIYBMMFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2,3)14-13(7,8)9-10-15-12(4,5)6/h14H,9-10H2,1-8H3.
What are the key properties of N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 134458448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).