2-methoxy-2-methyl-N-propyltridecan-4-amine

C18H39NO — CID 103025040

IUPAC2-methoxy-2-methyl-N-propyltridecan-4-amine
SMILESCCCCCCCCCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C18H39NO/c1-6-8-9-10-11-12-13-14-17(19-15-7-2)16-18(3,4)20-5/h17,19H,6-16H2,1-5H3
InChIKeyNUIKYPOTIOSABG-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.31
Rot. Bonds14

About 2-methoxy-2-methyl-N-propyltridecan-4-amine

2-methoxy-2-methyl-N-propyltridecan-4-amine (PubChem CID 103025040) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-propyltridecan-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-propyltridecan-4-amine
PubChem CID103025040
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name2-methoxy-2-methyl-N-propyltridecan-4-amine
SMILESCCCCCCCCCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C18H39NO/c1-6-8-9-10-11-12-13-14-17(19-15-7-2)16-18(3,4)20-5/h17,19H,6-16H2,1-5H3
InChIKeyNUIKYPOTIOSABG-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.31
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-methyl-N-propyltridecan-4-amine?
The IUPAC name of 2-methoxy-2-methyl-N-propyltridecan-4-amine (CID 103025040) is 2-methoxy-2-methyl-N-propyltridecan-4-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-propyltridecan-4-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-propyltridecan-4-amine is CCCCCCCCCC(CC(C)(C)OC)NCCC.
What is the InChIKey of 2-methoxy-2-methyl-N-propyltridecan-4-amine?
The InChIKey is NUIKYPOTIOSABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-6-8-9-10-11-12-13-14-17(19-15-7-2)16-18(3,4)20-5/h17,19H,6-16H2,1-5H3.
What are the key properties of 2-methoxy-2-methyl-N-propyltridecan-4-amine?
2-methoxy-2-methyl-N-propyltridecan-4-amine has a molecular weight of 285.52 g/mol, XLogP of 5.31, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-propyltridecan-4-amine is sourced from PubChem (CID 103025040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).