N-methyl-2-octadecoxyethanamine

C21H45NO — CID 175550654

IUPACN-methyl-2-octadecoxyethanamine
SMILESCCCCCCCCCCCCCCCCCCOCCNC
InChIInChI=1S/C21H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-2/h22H,3-21H2,1-2H3
InChIKeyVTAHEFKIUFUKNZ-UHFFFAOYSA-N
MW327.60 g/mol
LogP6.48
Rot. Bonds20

About N-methyl-2-octadecoxyethanamine

N-methyl-2-octadecoxyethanamine (PubChem CID 175550654) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is N-methyl-2-octadecoxyethanamine.

Molecular Properties

Compound NameN-methyl-2-octadecoxyethanamine
PubChem CID175550654
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC NameN-methyl-2-octadecoxyethanamine
SMILESCCCCCCCCCCCCCCCCCCOCCNC
InChIInChI=1S/C21H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-2/h22H,3-21H2,1-2H3
InChIKeyVTAHEFKIUFUKNZ-UHFFFAOYSA-N
XLogP6.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.48
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

2-decoxy-N-methylethanamine
CID 62337581
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
2-heptadec-8-enoxy-N-methylethanamine
CID 72521648
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
1,4-dipropoxybutane;N-methylpentadecan-1-amine
CID 161325834
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
CID 159860963
CID 159860963
1-butoxydotriacontane
CID 91693232
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-octadecoxyethanamine?
The IUPAC name of N-methyl-2-octadecoxyethanamine (CID 175550654) is N-methyl-2-octadecoxyethanamine.
What is the SMILES notation for N-methyl-2-octadecoxyethanamine?
The canonical SMILES for N-methyl-2-octadecoxyethanamine is CCCCCCCCCCCCCCCCCCOCCNC.
What is the InChIKey of N-methyl-2-octadecoxyethanamine?
The InChIKey is VTAHEFKIUFUKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-2/h22H,3-21H2,1-2H3.
What are the key properties of N-methyl-2-octadecoxyethanamine?
N-methyl-2-octadecoxyethanamine has a molecular weight of 327.60 g/mol, XLogP of 6.48, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-octadecoxyethanamine is sourced from PubChem (CID 175550654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).