2-methoxy-N,2-dimethyldodecan-5-amine

C15H33NO — CID 103031127

IUPAC2-methoxy-N,2-dimethyldodecan-5-amine
SMILESCCCCCCCC(CCC(C)(C)OC)NC
InChIInChI=1S/C15H33NO/c1-6-7-8-9-10-11-14(16-4)12-13-15(2,3)17-5/h14,16H,6-13H2,1-5H3
InChIKeyCIQUQONNABYPEK-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.14
Rot. Bonds11

About 2-methoxy-N,2-dimethyldodecan-5-amine

2-methoxy-N,2-dimethyldodecan-5-amine (PubChem CID 103031127) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethyldodecan-5-amine.

Molecular Properties

Compound Name2-methoxy-N,2-dimethyldodecan-5-amine
PubChem CID103031127
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-methoxy-N,2-dimethyldodecan-5-amine
SMILESCCCCCCCC(CCC(C)(C)OC)NC
InChIInChI=1S/C15H33NO/c1-6-7-8-9-10-11-14(16-4)12-13-15(2,3)17-5/h14,16H,6-13H2,1-5H3
InChIKeyCIQUQONNABYPEK-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.14
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 2-methoxy-N,2-dimethyldodecan-5-amine?
The IUPAC name of 2-methoxy-N,2-dimethyldodecan-5-amine (CID 103031127) is 2-methoxy-N,2-dimethyldodecan-5-amine.
What is the SMILES notation for 2-methoxy-N,2-dimethyldodecan-5-amine?
The canonical SMILES for 2-methoxy-N,2-dimethyldodecan-5-amine is CCCCCCCC(CCC(C)(C)OC)NC.
What is the InChIKey of 2-methoxy-N,2-dimethyldodecan-5-amine?
The InChIKey is CIQUQONNABYPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-6-7-8-9-10-11-14(16-4)12-13-15(2,3)17-5/h14,16H,6-13H2,1-5H3.
What are the key properties of 2-methoxy-N,2-dimethyldodecan-5-amine?
2-methoxy-N,2-dimethyldodecan-5-amine has a molecular weight of 243.43 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethyldodecan-5-amine is sourced from PubChem (CID 103031127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).