3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine

C15H33NO — CID 177178732

IUPAC3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine
SMILESCCNCCC(C)(CC)OCCC(C)(C)CC
InChIInChI=1S/C15H33NO/c1-7-14(4,5)11-13-17-15(6,8-2)10-12-16-9-3/h16H,7-13H2,1-6H3
InChIKeyIAMPLGNUMXOHJH-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds10

About 3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine

3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine (PubChem CID 177178732) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine
PubChem CID177178732
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine
SMILESCCNCCC(C)(CC)OCCC(C)(C)CC
InChIInChI=1S/C15H33NO/c1-7-14(4,5)11-13-17-15(6,8-2)10-12-16-9-3/h16H,7-13H2,1-6H3
InChIKeyIAMPLGNUMXOHJH-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine?
The IUPAC name of 3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine (CID 177178732) is 3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine?
The canonical SMILES for 3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine is CCNCCC(C)(CC)OCCC(C)(C)CC.
What is the InChIKey of 3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine?
The InChIKey is IAMPLGNUMXOHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-7-14(4,5)11-13-17-15(6,8-2)10-12-16-9-3/h16H,7-13H2,1-6H3.
What are the key properties of 3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine?
3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine is sourced from PubChem (CID 177178732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).