2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine

C16H33NO2 — CID 104676257

IUPAC2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine
SMILESCCCCCCCOC1CC(NCCC)C1OCC
InChIInChI=1S/C16H33NO2/c1-4-7-8-9-10-12-19-15-13-14(17-11-5-2)16(15)18-6-3/h14-17H,4-13H2,1-3H3
InChIKeySDFLDYWVSRPYRR-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.52
Rot. Bonds12

About 2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine

2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine (PubChem CID 104676257) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine
PubChem CID104676257
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine
SMILESCCCCCCCOC1CC(NCCC)C1OCC
InChIInChI=1S/C16H33NO2/c1-4-7-8-9-10-12-19-15-13-14(17-11-5-2)16(15)18-6-3/h14-17H,4-13H2,1-3H3
InChIKeySDFLDYWVSRPYRR-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.52
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

(3S,4R)-3,4-dibutoxy-2-(butoxymethyl)piperidine
CID 130435540
(3R,4R)-3,4-dibutoxy-2-(butoxymethyl)piperidine
CID 130435541
N-propan-2-yl-1,3,4-tri(propan-2-yloxy)octadecan-2-amine
CID 132080558
1,3,4-trimethoxy-N-methyloctadecan-2-amine
CID 132083415
3,4-dimethoxy-N-methyl-1-propoxyoctadecan-2-amine
CID 134480082
1,2-Di(tetradecoxy)hexan-3-yl-dimethylazanium bromide
CID 139900149
N-[2,3-di(tetradecoxy)propyl]decan-1-amine
CID 152383270
N-(2,3-didodecoxypropyl)hexan-1-amine
CID 168857939
N-(2,3-didodecoxypropyl)cyclobutanamine
CID 169678530
N-propan-2-yl-9-[5-[3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]hexan-2-yloxy]nonan-1-amine
CID 170071526
2,3-didodecoxy-N-propylpropan-1-amine
CID 172833449
N-[2,3-di(octadecan-9-yloxy)propyl]octan-1-amine
CID 175429915

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine (CID 104676257) is 2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine is CCCCCCCOC1CC(NCCC)C1OCC.
What is the InChIKey of 2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine?
The InChIKey is SDFLDYWVSRPYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-7-8-9-10-12-19-15-13-14(17-11-5-2)16(15)18-6-3/h14-17H,4-13H2,1-3H3.
What are the key properties of 2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine?
2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.52, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104676257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).