4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine

C11H25NO — CID 126706688

IUPAC4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine
SMILESCC(CC(C)(C)N)OCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(7-11(5,6)12)13-8-10(2,3)4/h9H,7-8,12H2,1-6H3
InChIKeyYVANHXLKMDCKIP-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds4

About 4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine

4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine (PubChem CID 126706688) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine
PubChem CID126706688
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine
SMILESCC(CC(C)(C)N)OCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(7-11(5,6)12)13-8-10(2,3)4/h9H,7-8,12H2,1-6H3
InChIKeyYVANHXLKMDCKIP-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine?
The IUPAC name of 4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine (CID 126706688) is 4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine is CC(CC(C)(C)N)OCC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine?
The InChIKey is YVANHXLKMDCKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(7-11(5,6)12)13-8-10(2,3)4/h9H,7-8,12H2,1-6H3.
What are the key properties of 4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine?
4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-2-methylpentan-2-amine is sourced from PubChem (CID 126706688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).