13-methoxy-13-methyltetradecan-1-amine

C16H35NO — CID 118461497

IUPAC13-methoxy-13-methyltetradecan-1-amine
SMILESCOC(C)(C)CCCCCCCCCCCCN
InChIInChI=1S/C16H35NO/c1-16(2,18-3)14-12-10-8-6-4-5-7-9-11-13-15-17/h4-15,17H2,1-3H3
InChIKeyYBVOBVPBFKNRFQ-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.66
Rot. Bonds13

About 13-methoxy-13-methyltetradecan-1-amine

13-methoxy-13-methyltetradecan-1-amine (PubChem CID 118461497) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 13-methoxy-13-methyltetradecan-1-amine.

Molecular Properties

Compound Name13-methoxy-13-methyltetradecan-1-amine
PubChem CID118461497
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name13-methoxy-13-methyltetradecan-1-amine
SMILESCOC(C)(C)CCCCCCCCCCCCN
InChIInChI=1S/C16H35NO/c1-16(2,18-3)14-12-10-8-6-4-5-7-9-11-13-15-17/h4-15,17H2,1-3H3
InChIKeyYBVOBVPBFKNRFQ-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.66
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 13-methoxy-13-methyltetradecan-1-amine?
The IUPAC name of 13-methoxy-13-methyltetradecan-1-amine (CID 118461497) is 13-methoxy-13-methyltetradecan-1-amine.
What is the SMILES notation for 13-methoxy-13-methyltetradecan-1-amine?
The canonical SMILES for 13-methoxy-13-methyltetradecan-1-amine is COC(C)(C)CCCCCCCCCCCCN.
What is the InChIKey of 13-methoxy-13-methyltetradecan-1-amine?
The InChIKey is YBVOBVPBFKNRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-16(2,18-3)14-12-10-8-6-4-5-7-9-11-13-15-17/h4-15,17H2,1-3H3.
What are the key properties of 13-methoxy-13-methyltetradecan-1-amine?
13-methoxy-13-methyltetradecan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.66, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-13-methyltetradecan-1-amine is sourced from PubChem (CID 118461497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).