12-methoxy-N-methyldodecan-1-amine

C14H31NO — CID 20764888

IUPAC12-methoxy-N-methyldodecan-1-amine
SMILESCNCCCCCCCCCCCCOC
InChIInChI=1S/C14H31NO/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-16-2/h15H,3-14H2,1-2H3
InChIKeyHNLOQGCSFSJRLG-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.75
Rot. Bonds13

About 12-methoxy-N-methyldodecan-1-amine

12-methoxy-N-methyldodecan-1-amine (PubChem CID 20764888) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 12-methoxy-N-methyldodecan-1-amine.

Molecular Properties

Compound Name12-methoxy-N-methyldodecan-1-amine
PubChem CID20764888
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name12-methoxy-N-methyldodecan-1-amine
SMILESCNCCCCCCCCCCCCOC
InChIInChI=1S/C14H31NO/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-16-2/h15H,3-14H2,1-2H3
InChIKeyHNLOQGCSFSJRLG-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.75
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 12-methoxy-N-methyldodecan-1-amine?
The IUPAC name of 12-methoxy-N-methyldodecan-1-amine (CID 20764888) is 12-methoxy-N-methyldodecan-1-amine.
What is the SMILES notation for 12-methoxy-N-methyldodecan-1-amine?
The canonical SMILES for 12-methoxy-N-methyldodecan-1-amine is CNCCCCCCCCCCCCOC.
What is the InChIKey of 12-methoxy-N-methyldodecan-1-amine?
The InChIKey is HNLOQGCSFSJRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-16-2/h15H,3-14H2,1-2H3.
What are the key properties of 12-methoxy-N-methyldodecan-1-amine?
12-methoxy-N-methyldodecan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.75, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-N-methyldodecan-1-amine is sourced from PubChem (CID 20764888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).