2-decoxy-N-methylethanamine

C13H29NO — CID 62337581

IUPAC2-decoxy-N-methylethanamine
SMILESCCCCCCCCCCOCCNC
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-2/h14H,3-13H2,1-2H3
InChIKeyQYVHGSHEVNQTON-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds12

About 2-decoxy-N-methylethanamine

2-decoxy-N-methylethanamine (PubChem CID 62337581) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-decoxy-N-methylethanamine.

Molecular Properties

Compound Name2-decoxy-N-methylethanamine
PubChem CID62337581
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-decoxy-N-methylethanamine
SMILESCCCCCCCCCCOCCNC
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-2/h14H,3-13H2,1-2H3
InChIKeyQYVHGSHEVNQTON-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
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

N-methyl-2-octadecoxyethanamine
CID 175550654
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
1-butoxydotriacontane
CID 91693232
CID 159860963
CID 159860963
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-N-methylethanamine?
The IUPAC name of 2-decoxy-N-methylethanamine (CID 62337581) is 2-decoxy-N-methylethanamine.
What is the SMILES notation for 2-decoxy-N-methylethanamine?
The canonical SMILES for 2-decoxy-N-methylethanamine is CCCCCCCCCCOCCNC.
What is the InChIKey of 2-decoxy-N-methylethanamine?
The InChIKey is QYVHGSHEVNQTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-2/h14H,3-13H2,1-2H3.
What are the key properties of 2-decoxy-N-methylethanamine?
2-decoxy-N-methylethanamine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-N-methylethanamine is sourced from PubChem (CID 62337581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).