4-(6-hexoxyhexoxy)-N-methylbutan-1-amine

C17H37NO2 — CID 164959438

IUPAC4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
SMILESCCCCCCOCCCCCCOCCCCNC
InChIInChI=1S/C17H37NO2/c1-3-4-5-9-14-19-15-10-6-7-11-16-20-17-12-8-13-18-2/h18H,3-17H2,1-2H3
InChIKeyBPWYRNLANJQQQH-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.16
Rot. Bonds17

About 4-(6-hexoxyhexoxy)-N-methylbutan-1-amine

4-(6-hexoxyhexoxy)-N-methylbutan-1-amine (PubChem CID 164959438) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-(6-hexoxyhexoxy)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
PubChem CID164959438
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
SMILESCCCCCCOCCCCCCOCCCCNC
InChIInChI=1S/C17H37NO2/c1-3-4-5-9-14-19-15-10-6-7-11-16-20-17-12-8-13-18-2/h18H,3-17H2,1-2H3
InChIKeyBPWYRNLANJQQQH-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-dipropoxybutane;N-methylpentadecan-1-amine
CID 161325834
N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581
N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
CID 155331327
N-methyltriacontan-1-amine
CID 19840895
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
CID 159860963
CID 159860963
1-butoxydotriacontane
CID 91693232
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of 4-(6-hexoxyhexoxy)-N-methylbutan-1-amine?
The IUPAC name of 4-(6-hexoxyhexoxy)-N-methylbutan-1-amine (CID 164959438) is 4-(6-hexoxyhexoxy)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(6-hexoxyhexoxy)-N-methylbutan-1-amine?
The canonical SMILES for 4-(6-hexoxyhexoxy)-N-methylbutan-1-amine is CCCCCCOCCCCCCOCCCCNC.
What is the InChIKey of 4-(6-hexoxyhexoxy)-N-methylbutan-1-amine?
The InChIKey is BPWYRNLANJQQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-3-4-5-9-14-19-15-10-6-7-11-16-20-17-12-8-13-18-2/h18H,3-17H2,1-2H3.
What are the key properties of 4-(6-hexoxyhexoxy)-N-methylbutan-1-amine?
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.16, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hexoxyhexoxy)-N-methylbutan-1-amine is sourced from PubChem (CID 164959438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).