N-ethyl-2-methoxy-2-methyltridecan-4-amine

C17H37NO — CID 103025039

IUPACN-ethyl-2-methoxy-2-methyltridecan-4-amine
SMILESCCCCCCCCCC(CC(C)(C)OC)NCC
InChIInChI=1S/C17H37NO/c1-6-8-9-10-11-12-13-14-16(18-7-2)15-17(3,4)19-5/h16,18H,6-15H2,1-5H3
InChIKeyFTMPWSVKKMGZIG-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.92
Rot. Bonds13

About N-ethyl-2-methoxy-2-methyltridecan-4-amine

N-ethyl-2-methoxy-2-methyltridecan-4-amine (PubChem CID 103025039) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-methyltridecan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-methyltridecan-4-amine
PubChem CID103025039
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC NameN-ethyl-2-methoxy-2-methyltridecan-4-amine
SMILESCCCCCCCCCC(CC(C)(C)OC)NCC
InChIInChI=1S/C17H37NO/c1-6-8-9-10-11-12-13-14-16(18-7-2)15-17(3,4)19-5/h16,18H,6-15H2,1-5H3
InChIKeyFTMPWSVKKMGZIG-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.92
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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Related Compounds

8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine
CID 103028745
2-methoxy-2-methyl-N-propyltridecan-4-amine
CID 103025040
2-Methoxy-2-methylundecan-4-amine
CID 103025041
2-methoxy-N,2-dimethylundecan-4-amine
CID 103025042
2-Methoxy-2-methyloctan-4-amine
CID 103025044
2-Methoxy-2-methyldecan-4-amine
CID 103025049
N-ethyl-2-methoxy-2-methyldecan-4-amine
CID 103025050
2-methoxy-N,2,7-trimethyloctan-4-amine
CID 103025053
2-methoxy-2,7-dimethyl-N-propyloctan-4-amine
CID 103025055
2-Methoxy-2-methyldodecan-4-amine
CID 103025056
2-methoxy-N,2-dimethyldodecan-4-amine
CID 103025057
N-ethyl-2-methoxy-2-methyldodecan-4-amine
CID 103025058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2-methyltridecan-4-amine?
The IUPAC name of N-ethyl-2-methoxy-2-methyltridecan-4-amine (CID 103025039) is N-ethyl-2-methoxy-2-methyltridecan-4-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2-methyltridecan-4-amine?
The canonical SMILES for N-ethyl-2-methoxy-2-methyltridecan-4-amine is CCCCCCCCCC(CC(C)(C)OC)NCC.
What is the InChIKey of N-ethyl-2-methoxy-2-methyltridecan-4-amine?
The InChIKey is FTMPWSVKKMGZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-6-8-9-10-11-12-13-14-16(18-7-2)15-17(3,4)19-5/h16,18H,6-15H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-2-methyltridecan-4-amine?
N-ethyl-2-methoxy-2-methyltridecan-4-amine has a molecular weight of 271.49 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-2-methyltridecan-4-amine is sourced from PubChem (CID 103025039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).