N-(2-undecoxyethyl)prop-2-en-1-amine

C16H33NO — CID 22091509

IUPACN-(2-undecoxyethyl)prop-2-en-1-amine
SMILESC=CCNCCOCCCCCCCCCCC
InChIInChI=1S/C16H33NO/c1-3-5-6-7-8-9-10-11-12-15-18-16-14-17-13-4-2/h4,17H,2-3,5-16H2,1H3
InChIKeyFZLCBFVTBLFLTO-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.31
Rot. Bonds15

About N-(2-undecoxyethyl)prop-2-en-1-amine

N-(2-undecoxyethyl)prop-2-en-1-amine (PubChem CID 22091509) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(2-undecoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-undecoxyethyl)prop-2-en-1-amine
PubChem CID22091509
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(2-undecoxyethyl)prop-2-en-1-amine
SMILESC=CCNCCOCCCCCCCCCCC
InChIInChI=1S/C16H33NO/c1-3-5-6-7-8-9-10-11-12-15-18-16-14-17-13-4-2/h4,17H,2-3,5-16H2,1H3
InChIKeyFZLCBFVTBLFLTO-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-undecoxyethyl)prop-2-en-1-amine?
The IUPAC name of N-(2-undecoxyethyl)prop-2-en-1-amine (CID 22091509) is N-(2-undecoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-undecoxyethyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-undecoxyethyl)prop-2-en-1-amine is C=CCNCCOCCCCCCCCCCC.
What is the InChIKey of N-(2-undecoxyethyl)prop-2-en-1-amine?
The InChIKey is FZLCBFVTBLFLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-5-6-7-8-9-10-11-12-15-18-16-14-17-13-4-2/h4,17H,2-3,5-16H2,1H3.
What are the key properties of N-(2-undecoxyethyl)prop-2-en-1-amine?
N-(2-undecoxyethyl)prop-2-en-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.31, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-undecoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 22091509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).