2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine

C15H33NO — CID 103036797

IUPAC2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine
SMILESCCCNCC(CC)(CC)CCC(C)(C)OC
InChIInChI=1S/C15H33NO/c1-7-12-16-13-15(8-2,9-3)11-10-14(4,5)17-6/h16H,7-13H2,1-6H3
InChIKeyBHQBZFUSRNLOHC-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds10

About 2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine

2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine (PubChem CID 103036797) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine
PubChem CID103036797
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine
SMILESCCCNCC(CC)(CC)CCC(C)(C)OC
InChIInChI=1S/C15H33NO/c1-7-12-16-13-15(8-2,9-3)11-10-14(4,5)17-6/h16H,7-13H2,1-6H3
InChIKeyBHQBZFUSRNLOHC-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
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

2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine
CID 103025253
6-methoxy-2,2,6-trimethyl-N-propylheptan-3-amine
CID 103031449
N-ethyl-6-methoxy-2,2,6-trimethylheptan-3-amine
CID 103031450
7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
CID 103031465
N-(3-methoxy-3-methylbutyl)-2,2-dimethylheptan-1-amine
CID 103033452
N-ethyl-6-methoxy-6-methylheptan-2-amine
CID 103034542
6-methoxy-6-methyl-N-propylheptan-2-amine
CID 103034543
7-methoxy-N,2,2,7-tetramethyloctan-3-amine
CID 103034547
N-ethyl-7-methoxy-2,2,7-trimethyloctan-3-amine
CID 103034548
7-methoxy-2,2,7-trimethyl-N-propyloctan-3-amine
CID 103034549
6-methoxy-N,3,6-trimethylheptan-2-amine
CID 103034556
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine (CID 103036797) is 2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine is CCCNCC(CC)(CC)CCC(C)(C)OC.
What is the InChIKey of 2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine?
The InChIKey is BHQBZFUSRNLOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-7-12-16-13-15(8-2,9-3)11-10-14(4,5)17-6/h16H,7-13H2,1-6H3.
What are the key properties of 2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine?
2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-methoxy-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 103036797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).