2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine

C17H37NO — CID 103036789

IUPAC2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine
SMILESCCCCC(CC)(CCC(C)(C)OC)CNCCC
InChIInChI=1S/C17H37NO/c1-7-10-11-17(9-3,15-18-14-8-2)13-12-16(4,5)19-6/h18H,7-15H2,1-6H3
InChIKeyJVIITKOLIOWJRA-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.78
Rot. Bonds12

About 2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine

2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine (PubChem CID 103036789) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine
PubChem CID103036789
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine
SMILESCCCCC(CC)(CCC(C)(C)OC)CNCCC
InChIInChI=1S/C17H37NO/c1-7-10-11-17(9-3,15-18-14-8-2)13-12-16(4,5)19-6/h18H,7-15H2,1-6H3
InChIKeyJVIITKOLIOWJRA-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.78
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-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine (CID 103036789) is 2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine is CCCCC(CC)(CCC(C)(C)OC)CNCCC.
What is the InChIKey of 2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine?
The InChIKey is JVIITKOLIOWJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-7-10-11-17(9-3,15-18-14-8-2)13-12-16(4,5)19-6/h18H,7-15H2,1-6H3.
What are the key properties of 2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine?
2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.78, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-5-methoxy-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 103036789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).