N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine

C15H33NO2 — CID 106447191

IUPACN-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine
SMILESCCCC(NCC)C(CC)OCCOCC(C)C
InChIInChI=1S/C15H33NO2/c1-6-9-14(16-8-3)15(7-2)18-11-10-17-12-13(4)5/h13-16H,6-12H2,1-5H3
InChIKeyIBSYSAPIXFYUEA-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.23
Rot. Bonds12

About N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine

N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine (PubChem CID 106447191) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine
PubChem CID106447191
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine
SMILESCCCC(NCC)C(CC)OCCOCC(C)C
InChIInChI=1S/C15H33NO2/c1-6-9-14(16-8-3)15(7-2)18-11-10-17-12-13(4)5/h13-16H,6-12H2,1-5H3
InChIKeyIBSYSAPIXFYUEA-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.23
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

3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine
CID 82004838
N-ethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-3-amine
CID 106447397
N-ethyl-1-(2-propan-2-yloxyethoxy)pentan-2-amine
CID 62042339
N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106450140
3-ethoxy-N-ethylundecan-4-amine
CID 116716862
N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine
CID 106454434
3-heptoxy-N-propylheptan-4-amine
CID 63474937
N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine
CID 106447296
1-(2,2-difluoroethoxy)-N-ethyl-4-methylhexan-3-amine
CID 103149557
3-(2-cyclobutylethoxy)-N-propylheptan-4-amine
CID 106201007
N-ethyl-1,1-difluoro-3-propoxypropan-2-amine
CID 103759797
N-ethyl-1,1-difluoropentan-2-amine
CID 80604281

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine?
The IUPAC name of N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine (CID 106447191) is N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine.
What is the SMILES notation for N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine?
The canonical SMILES for N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine is CCCC(NCC)C(CC)OCCOCC(C)C.
What is the InChIKey of N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine?
The InChIKey is IBSYSAPIXFYUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-6-9-14(16-8-3)15(7-2)18-11-10-17-12-13(4)5/h13-16H,6-12H2,1-5H3.
What are the key properties of N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine?
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine has a molecular weight of 259.43 g/mol, XLogP of 3.23, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine is sourced from PubChem (CID 106447191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).