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

C20H43NO — CID 22091504

IUPACN-(2-undecoxyethyl)heptan-1-amine
SMILESCCCCCCCCCCCOCCNCCCCCCC
InChIInChI=1S/C20H43NO/c1-3-5-7-9-10-11-12-14-16-19-22-20-18-21-17-15-13-8-6-4-2/h21H,3-20H2,1-2H3
InChIKeyLOEWSGFFQFUZBQ-UHFFFAOYSA-N
MW313.57 g/mol
LogP6.09
Rot. Bonds19

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

N-(2-undecoxyethyl)heptan-1-amine (PubChem CID 22091504) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is N-(2-undecoxyethyl)heptan-1-amine.

Molecular Properties

Compound NameN-(2-undecoxyethyl)heptan-1-amine
PubChem CID22091504
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC NameN-(2-undecoxyethyl)heptan-1-amine
SMILESCCCCCCCCCCCOCCNCCCCCCC
InChIInChI=1S/C20H43NO/c1-3-5-7-9-10-11-12-14-16-19-22-20-18-21-17-15-13-8-6-4-2/h21H,3-20H2,1-2H3
InChIKeyLOEWSGFFQFUZBQ-UHFFFAOYSA-N
XLogP6.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 56.09
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)heptan-1-amine?
The IUPAC name of N-(2-undecoxyethyl)heptan-1-amine (CID 22091504) is N-(2-undecoxyethyl)heptan-1-amine.
What is the SMILES notation for N-(2-undecoxyethyl)heptan-1-amine?
The canonical SMILES for N-(2-undecoxyethyl)heptan-1-amine is CCCCCCCCCCCOCCNCCCCCCC.
What is the InChIKey of N-(2-undecoxyethyl)heptan-1-amine?
The InChIKey is LOEWSGFFQFUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO/c1-3-5-7-9-10-11-12-14-16-19-22-20-18-21-17-15-13-8-6-4-2/h21H,3-20H2,1-2H3.
What are the key properties of N-(2-undecoxyethyl)heptan-1-amine?
N-(2-undecoxyethyl)heptan-1-amine has a molecular weight of 313.57 g/mol, XLogP of 6.09, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-undecoxyethyl)heptan-1-amine is sourced from PubChem (CID 22091504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).