3-methoxy-3-methyltetradecan-4-amine

C16H35NO — CID 116757437

IUPAC3-methoxy-3-methyltetradecan-4-amine
SMILESCCCCCCCCCCC(N)C(C)(CC)OC
InChIInChI=1S/C16H35NO/c1-5-7-8-9-10-11-12-13-14-15(17)16(3,6-2)18-4/h15H,5-14,17H2,1-4H3
InChIKeyVNBGVDBQLYZSDE-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.66
Rot. Bonds12

About 3-methoxy-3-methyltetradecan-4-amine

3-methoxy-3-methyltetradecan-4-amine (PubChem CID 116757437) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-methoxy-3-methyltetradecan-4-amine.

Molecular Properties

Compound Name3-methoxy-3-methyltetradecan-4-amine
PubChem CID116757437
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-methoxy-3-methyltetradecan-4-amine
SMILESCCCCCCCCCCC(N)C(C)(CC)OC
InChIInChI=1S/C16H35NO/c1-5-7-8-9-10-11-12-13-14-15(17)16(3,6-2)18-4/h15H,5-14,17H2,1-4H3
InChIKeyVNBGVDBQLYZSDE-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
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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Related Compounds

1,1,1-trimethoxydecan-2-amine
CID 150913764
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2,2-dimethyldodecan-3-amine
CID 43370499
3-methoxy-3-methylnonan-4-ol
CID 116751924
3-methoxy-N,3-dimethylundecan-4-amine
CID 116757603
2-methyldecane-2,3-diamine
CID 87934186
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
3-methoxy-3-methyl-N-propyldodecan-4-amine
CID 116758147
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
2-ethoxy-2-methylundecan-3-amine
CID 116726130

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyltetradecan-4-amine?
The IUPAC name of 3-methoxy-3-methyltetradecan-4-amine (CID 116757437) is 3-methoxy-3-methyltetradecan-4-amine.
What is the SMILES notation for 3-methoxy-3-methyltetradecan-4-amine?
The canonical SMILES for 3-methoxy-3-methyltetradecan-4-amine is CCCCCCCCCCC(N)C(C)(CC)OC.
What is the InChIKey of 3-methoxy-3-methyltetradecan-4-amine?
The InChIKey is VNBGVDBQLYZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-7-8-9-10-11-12-13-14-15(17)16(3,6-2)18-4/h15H,5-14,17H2,1-4H3.
What are the key properties of 3-methoxy-3-methyltetradecan-4-amine?
3-methoxy-3-methyltetradecan-4-amine has a molecular weight of 257.46 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyltetradecan-4-amine is sourced from PubChem (CID 116757437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).