4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine

C13H29NO — CID 129042330

IUPAC4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine
SMILESCCC(C)(C)CC(CN)OC(C)(C)CC
InChIInChI=1S/C13H29NO/c1-7-12(3,4)9-11(10-14)15-13(5,6)8-2/h11H,7-10,14H2,1-6H3
InChIKeyIXGWUOMXVJISDT-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.35
Rot. Bonds7

About 4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine

4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine (PubChem CID 129042330) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine
PubChem CID129042330
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine
SMILESCCC(C)(C)CC(CN)OC(C)(C)CC
InChIInChI=1S/C13H29NO/c1-7-12(3,4)9-11(10-14)15-13(5,6)8-2/h11H,7-10,14H2,1-6H3
InChIKeyIXGWUOMXVJISDT-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine (CID 129042330) is 4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine is CCC(C)(C)CC(CN)OC(C)(C)CC.
What is the InChIKey of 4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine?
The InChIKey is IXGWUOMXVJISDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-12(3,4)9-11(10-14)15-13(5,6)8-2/h11H,7-10,14H2,1-6H3.
What are the key properties of 4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine?
4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine is sourced from PubChem (CID 129042330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).