N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine

C15H33NO2 — CID 164906899

IUPACN-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
SMILESCCN(C)CCCOCCCOCCCC(C)C
InChIInChI=1S/C15H33NO2/c1-5-16(4)10-7-12-18-14-8-13-17-11-6-9-15(2)3/h15H,5-14H2,1-4H3
InChIKeyUCAAHQARKUXWSH-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.19
Rot. Bonds13

About N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine

N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine (PubChem CID 164906899) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
PubChem CID164906899
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
SMILESCCN(C)CCCOCCCOCCCC(C)C
InChIInChI=1S/C15H33NO2/c1-5-16(4)10-7-12-18-14-8-13-17-11-6-9-15(2)3/h15H,5-14H2,1-4H3
InChIKeyUCAAHQARKUXWSH-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(4-methylpentoxy)-N-(methylsulfanylmethyl)propan-1-amine
CID 138728387
N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine
CID 166168806
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine
CID 172516818
3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine
CID 164556993
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
CID 161233073
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
N-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl]-N-methylpropan-2-amine
CID 177053557
N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
CID 138728540
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine?
The IUPAC name of N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine (CID 164906899) is N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine is CCN(C)CCCOCCCOCCCC(C)C.
What is the InChIKey of N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine?
The InChIKey is UCAAHQARKUXWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-5-16(4)10-7-12-18-14-8-13-17-11-6-9-15(2)3/h15H,5-14H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine?
N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.19, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine is sourced from PubChem (CID 164906899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).