4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine

C15H33NO — CID 123626972

IUPAC4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine
SMILESCCCC(C)CC(C)(C)OCC(C)C(C)(C)N
InChIInChI=1S/C15H33NO/c1-8-9-12(2)10-14(4,5)17-11-13(3)15(6,7)16/h12-13H,8-11,16H2,1-7H3
InChIKeyKFIIAGSTYIFEJF-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.98
Rot. Bonds8

About 4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine

4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine (PubChem CID 123626972) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine
PubChem CID123626972
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine
SMILESCCCC(C)CC(C)(C)OCC(C)C(C)(C)N
InChIInChI=1S/C15H33NO/c1-8-9-12(2)10-14(4,5)17-11-13(3)15(6,7)16/h12-13H,8-11,16H2,1-7H3
InChIKeyKFIIAGSTYIFEJF-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine?
The IUPAC name of 4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine (CID 123626972) is 4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine?
The canonical SMILES for 4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine is CCCC(C)CC(C)(C)OCC(C)C(C)(C)N.
What is the InChIKey of 4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine?
The InChIKey is KFIIAGSTYIFEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-8-9-12(2)10-14(4,5)17-11-13(3)15(6,7)16/h12-13H,8-11,16H2,1-7H3.
What are the key properties of 4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine?
4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine has a molecular weight of 243.43 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylheptan-2-yloxy)-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 123626972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).