13-methoxy-11-methylidenetridecan-1-amine

C15H31NO — CID 156532604

IUPAC13-methoxy-11-methylidenetridecan-1-amine
SMILESC=C(CCCCCCCCCCN)CCOC
InChIInChI=1S/C15H31NO/c1-15(12-14-17-2)11-9-7-5-3-4-6-8-10-13-16/h1,3-14,16H2,2H3
InChIKeyKNVGZFCQBWXSTG-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.05
Rot. Bonds13

About 13-methoxy-11-methylidenetridecan-1-amine

13-methoxy-11-methylidenetridecan-1-amine (PubChem CID 156532604) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 13-methoxy-11-methylidenetridecan-1-amine.

Molecular Properties

Compound Name13-methoxy-11-methylidenetridecan-1-amine
PubChem CID156532604
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name13-methoxy-11-methylidenetridecan-1-amine
SMILESC=C(CCCCCCCCCCN)CCOC
InChIInChI=1S/C15H31NO/c1-15(12-14-17-2)11-9-7-5-3-4-6-8-10-13-16/h1,3-14,16H2,2H3
InChIKeyKNVGZFCQBWXSTG-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 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 ≤ 54.05
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 13-methoxy-11-methylidenetridecan-1-amine?
The IUPAC name of 13-methoxy-11-methylidenetridecan-1-amine (CID 156532604) is 13-methoxy-11-methylidenetridecan-1-amine.
What is the SMILES notation for 13-methoxy-11-methylidenetridecan-1-amine?
The canonical SMILES for 13-methoxy-11-methylidenetridecan-1-amine is C=C(CCCCCCCCCCN)CCOC.
What is the InChIKey of 13-methoxy-11-methylidenetridecan-1-amine?
The InChIKey is KNVGZFCQBWXSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(12-14-17-2)11-9-7-5-3-4-6-8-10-13-16/h1,3-14,16H2,2H3.
What are the key properties of 13-methoxy-11-methylidenetridecan-1-amine?
13-methoxy-11-methylidenetridecan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 4.05, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-11-methylidenetridecan-1-amine is sourced from PubChem (CID 156532604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).