2-methoxy-2-methyltridecan-5-amine

C15H33NO — CID 103031115

IUPAC2-methoxy-2-methyltridecan-5-amine
SMILESCCCCCCCCC(N)CCC(C)(C)OC
InChIInChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-14(16)12-13-15(2,3)17-4/h14H,5-13,16H2,1-4H3
InChIKeyLGGQKZKGHLEOLE-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.27
Rot. Bonds11

About 2-methoxy-2-methyltridecan-5-amine

2-methoxy-2-methyltridecan-5-amine (PubChem CID 103031115) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-methoxy-2-methyltridecan-5-amine.

Molecular Properties

Compound Name2-methoxy-2-methyltridecan-5-amine
PubChem CID103031115
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-methoxy-2-methyltridecan-5-amine
SMILESCCCCCCCCC(N)CCC(C)(C)OC
InChIInChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-14(16)12-13-15(2,3)17-4/h14H,5-13,16H2,1-4H3
InChIKeyLGGQKZKGHLEOLE-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 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 ≤ 54.27
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-2-methyltridecan-5-amine?
The IUPAC name of 2-methoxy-2-methyltridecan-5-amine (CID 103031115) is 2-methoxy-2-methyltridecan-5-amine.
What is the SMILES notation for 2-methoxy-2-methyltridecan-5-amine?
The canonical SMILES for 2-methoxy-2-methyltridecan-5-amine is CCCCCCCCC(N)CCC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyltridecan-5-amine?
The InChIKey is LGGQKZKGHLEOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-5-6-7-8-9-10-11-14(16)12-13-15(2,3)17-4/h14H,5-13,16H2,1-4H3.
What are the key properties of 2-methoxy-2-methyltridecan-5-amine?
2-methoxy-2-methyltridecan-5-amine has a molecular weight of 243.43 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyltridecan-5-amine is sourced from PubChem (CID 103031115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).