5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine

C22H47NO2 — CID 170245649

IUPAC5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
SMILESCOC(C)(C)CC(C)CCOC(C)CC(C)CCNC(C)CC(C)C
InChIInChI=1S/C22H47NO2/c1-17(2)14-20(5)23-12-10-18(3)15-21(6)25-13-11-19(4)16-22(7,8)24-9/h17-21,23H,10-16H2,1-9H3
InChIKeyPATYZQUWVICYBZ-UHFFFAOYSA-N
MW357.62 g/mol
LogP5.67
Rot. Bonds15

About 5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine

5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine (PubChem CID 170245649) has the molecular formula C22H47NO2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
PubChem CID170245649
Molecular FormulaC22H47NO2
Molecular Weight357.62 g/mol
Exact Mass357.36
IUPAC Name5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
SMILESCOC(C)(C)CC(C)CCOC(C)CC(C)CCNC(C)CC(C)C
InChIInChI=1S/C22H47NO2/c1-17(2)14-20(5)23-12-10-18(3)15-21(6)25-13-11-19(4)16-22(7,8)24-9/h17-21,23H,10-16H2,1-9H3
InChIKeyPATYZQUWVICYBZ-UHFFFAOYSA-N
XLogP5.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 146637900
CID 146637900
CID 155031532
CID 155031532
CID 158987008
CID 158987008
CID 170245653
CID 170245653

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine?
The IUPAC name of 5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine (CID 170245649) is 5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine.
What is the SMILES notation for 5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine?
The canonical SMILES for 5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine is COC(C)(C)CC(C)CCOC(C)CC(C)CCNC(C)CC(C)C.
What is the InChIKey of 5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine?
The InChIKey is PATYZQUWVICYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO2/c1-17(2)14-20(5)23-12-10-18(3)15-21(6)25-13-11-19(4)16-22(7,8)24-9/h17-21,23H,10-16H2,1-9H3.
What are the key properties of 5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine?
5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine has a molecular weight of 357.62 g/mol, XLogP of 5.67, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3,5-dimethylhexoxy)-3-methyl-N-(4-methylpentan-2-yl)hexan-1-amine is sourced from PubChem (CID 170245649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).