N-(2-undecoxyethyl)butan-1-amine

C17H37NO — CID 22091498

IUPACN-(2-undecoxyethyl)butan-1-amine
SMILESCCCCCCCCCCCOCCNCCCC
InChIInChI=1S/C17H37NO/c1-3-5-7-8-9-10-11-12-13-16-19-17-15-18-14-6-4-2/h18H,3-17H2,1-2H3
InChIKeyPQEPUKJAAMCGGY-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.92
Rot. Bonds16

About N-(2-undecoxyethyl)butan-1-amine

N-(2-undecoxyethyl)butan-1-amine (PubChem CID 22091498) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is N-(2-undecoxyethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-undecoxyethyl)butan-1-amine
PubChem CID22091498
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC NameN-(2-undecoxyethyl)butan-1-amine
SMILESCCCCCCCCCCCOCCNCCCC
InChIInChI=1S/C17H37NO/c1-3-5-7-8-9-10-11-12-13-16-19-17-15-18-14-6-4-2/h18H,3-17H2,1-2H3
InChIKeyPQEPUKJAAMCGGY-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
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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Frequently Asked Questions

What is the IUPAC name of N-(2-undecoxyethyl)butan-1-amine?
The IUPAC name of N-(2-undecoxyethyl)butan-1-amine (CID 22091498) is N-(2-undecoxyethyl)butan-1-amine.
What is the SMILES notation for N-(2-undecoxyethyl)butan-1-amine?
The canonical SMILES for N-(2-undecoxyethyl)butan-1-amine is CCCCCCCCCCCOCCNCCCC.
What is the InChIKey of N-(2-undecoxyethyl)butan-1-amine?
The InChIKey is PQEPUKJAAMCGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-3-5-7-8-9-10-11-12-13-16-19-17-15-18-14-6-4-2/h18H,3-17H2,1-2H3.
What are the key properties of N-(2-undecoxyethyl)butan-1-amine?
N-(2-undecoxyethyl)butan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.92, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-undecoxyethyl)butan-1-amine is sourced from PubChem (CID 22091498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).