N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine

C16H35NO — CID 156714532

IUPACN-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)(C)COC(C)(C)CC(C)(C)NC(C)(C)C
InChIInChI=1S/C16H35NO/c1-13(2,3)12-18-16(9,10)11-15(7,8)17-14(4,5)6/h17H,11-12H2,1-10H3
InChIKeySEJRGHIOQWGYLL-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.38
Rot. Bonds5

About N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine

N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine (PubChem CID 156714532) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine
PubChem CID156714532
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)(C)COC(C)(C)CC(C)(C)NC(C)(C)C
InChIInChI=1S/C16H35NO/c1-13(2,3)12-18-16(9,10)11-15(7,8)17-14(4,5)6/h17H,11-12H2,1-10H3
InChIKeySEJRGHIOQWGYLL-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine?
The IUPAC name of N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine (CID 156714532) is N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine.
What is the SMILES notation for N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine?
The canonical SMILES for N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine is CC(C)(C)COC(C)(C)CC(C)(C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine?
The InChIKey is SEJRGHIOQWGYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-13(2,3)12-18-16(9,10)11-15(7,8)17-14(4,5)6/h17H,11-12H2,1-10H3.
What are the key properties of N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine?
N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine has a molecular weight of 257.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 156714532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).