N-ethyl-12-methoxydodec-8-en-1-amine

C15H31NO — CID 91059015

IUPACN-ethyl-12-methoxydodec-8-en-1-amine
SMILESCCNCCCCCCCC=CCCCOC
InChIInChI=1S/C15H31NO/c1-3-16-14-12-10-8-6-4-5-7-9-11-13-15-17-2/h7,9,16H,3-6,8,10-15H2,1-2H3
InChIKeyCWRKFRZXLYWXOC-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.92
Rot. Bonds13

About N-ethyl-12-methoxydodec-8-en-1-amine

N-ethyl-12-methoxydodec-8-en-1-amine (PubChem CID 91059015) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-ethyl-12-methoxydodec-8-en-1-amine.

Molecular Properties

Compound NameN-ethyl-12-methoxydodec-8-en-1-amine
PubChem CID91059015
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-ethyl-12-methoxydodec-8-en-1-amine
SMILESCCNCCCCCCCC=CCCCOC
InChIInChI=1S/C15H31NO/c1-3-16-14-12-10-8-6-4-5-7-9-11-13-15-17-2/h7,9,16H,3-6,8,10-15H2,1-2H3
InChIKeyCWRKFRZXLYWXOC-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.92
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-ethyl-12-methoxydodec-8-en-1-amine?
The IUPAC name of N-ethyl-12-methoxydodec-8-en-1-amine (CID 91059015) is N-ethyl-12-methoxydodec-8-en-1-amine.
What is the SMILES notation for N-ethyl-12-methoxydodec-8-en-1-amine?
The canonical SMILES for N-ethyl-12-methoxydodec-8-en-1-amine is CCNCCCCCCCC=CCCCOC.
What is the InChIKey of N-ethyl-12-methoxydodec-8-en-1-amine?
The InChIKey is CWRKFRZXLYWXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-16-14-12-10-8-6-4-5-7-9-11-13-15-17-2/h7,9,16H,3-6,8,10-15H2,1-2H3.
What are the key properties of N-ethyl-12-methoxydodec-8-en-1-amine?
N-ethyl-12-methoxydodec-8-en-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.92, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-12-methoxydodec-8-en-1-amine is sourced from PubChem (CID 91059015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).