2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine

C13H29NO — CID 146534559

IUPAC2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine
SMILESCC(C)(C)CC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C13H29NO/c1-11(2,3)10-13(6,7)15-9-8-12(4,5)14/h8-10,14H2,1-7H3
InChIKeyVCNYKHRACFXYGI-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.35
Rot. Bonds5

About 2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine

2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine (PubChem CID 146534559) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine
PubChem CID146534559
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine
SMILESCC(C)(C)CC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C13H29NO/c1-11(2,3)10-13(6,7)15-9-8-12(4,5)14/h8-10,14H2,1-7H3
InChIKeyVCNYKHRACFXYGI-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine?
The IUPAC name of 2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine (CID 146534559) is 2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine?
The canonical SMILES for 2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine is CC(C)(C)CC(C)(C)OCCC(C)(C)N.
What is the InChIKey of 2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine?
The InChIKey is VCNYKHRACFXYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2,3)10-13(6,7)15-9-8-12(4,5)14/h8-10,14H2,1-7H3.
What are the key properties of 2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine?
2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,4,4-trimethylpentan-2-yloxy)butan-2-amine is sourced from PubChem (CID 146534559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).