3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine

C23H49NO — CID 155419255

IUPAC3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine
SMILESCCC(CCN)CCOC(C)CC(C)CCC(C)CC(CC)C(C)C
InChIInChI=1S/C23H49NO/c1-8-22(12-14-24)13-15-25-21(7)16-19(5)10-11-20(6)17-23(9-2)18(3)4/h18-23H,8-17,24H2,1-7H3
InChIKeyPVXZBUUELZSENJ-UHFFFAOYSA-N
MW355.65 g/mol
LogP6.67
Rot. Bonds16

About 3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine

3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine (PubChem CID 155419255) has the molecular formula C23H49NO and a molecular weight of 355.65 g/mol. Its IUPAC name is 3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine.

Molecular Properties

Compound Name3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine
PubChem CID155419255
Molecular FormulaC23H49NO
Molecular Weight355.65 g/mol
Exact Mass355.38
IUPAC Name3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine
SMILESCCC(CCN)CCOC(C)CC(C)CCC(C)CC(CC)C(C)C
InChIInChI=1S/C23H49NO/c1-8-22(12-14-24)13-15-25-21(7)16-19(5)10-11-20(6)17-23(9-2)18(3)4/h18-23H,8-17,24H2,1-7H3
InChIKeyPVXZBUUELZSENJ-UHFFFAOYSA-N
XLogP6.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.65
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine?
The IUPAC name of 3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine (CID 155419255) is 3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine.
What is the SMILES notation for 3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine?
The canonical SMILES for 3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine is CCC(CCN)CCOC(C)CC(C)CCC(C)CC(CC)C(C)C.
What is the InChIKey of 3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine?
The InChIKey is PVXZBUUELZSENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO/c1-8-22(12-14-24)13-15-25-21(7)16-19(5)10-11-20(6)17-23(9-2)18(3)4/h18-23H,8-17,24H2,1-7H3.
What are the key properties of 3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine?
3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine has a molecular weight of 355.65 g/mol, XLogP of 6.67, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(9-ethyl-4,7,10-trimethylundecan-2-yl)oxypentan-1-amine is sourced from PubChem (CID 155419255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).