N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine

C18H40N2O — CID 162353484

IUPACN-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine
SMILESCCCCCCN(C)C(C)OC(C)N(C)CCCCCC
InChIInChI=1S/C18H40N2O/c1-7-9-11-13-15-19(5)17(3)21-18(4)20(6)16-14-12-10-8-2/h17-18H,7-16H2,1-6H3
InChIKeyUQENJKGJBYPING-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.72
Rot. Bonds14

About N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine

N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine (PubChem CID 162353484) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine
PubChem CID162353484
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC NameN-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine
SMILESCCCCCCN(C)C(C)OC(C)N(C)CCCCCC
InChIInChI=1S/C18H40N2O/c1-7-9-11-13-15-19(5)17(3)21-18(4)20(6)16-14-12-10-8-2/h17-18H,7-16H2,1-6H3
InChIKeyUQENJKGJBYPING-UHFFFAOYSA-N
XLogP4.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ammonium, N,N-diethyl-N'.N'-dimethyl-N,N'-oxydiethylenebis(hexyl-, dibromide
CID 45737
N,N-bis(3-ethoxypropyl)octan-1-amine
CID 3085381
Dodecyl-(ethoxymethyl)-dimethyl-ammonium
CID 480888
Dodecyl-dimethyl-(propoxymethyl)ammonium
CID 480891
Diethyl-heptyl-[2-[2-[heptyl(dimethyl)azaniumyl]ethoxy]ethyl]azanium
CID 45736
Diethyl-hexyl-[2-[2-[hexyl(dimethyl)azaniumyl]ethoxy]ethyl]azanium
CID 45738
2-[2-[Diethyl(pentyl)azaniumyl]ethoxy]ethyl-dimethyl-pentylazanium
CID 45742
2-[2-[Dimethyl(octyl)azaniumyl]ethoxy]ethyl-dimethyl-octylazanium
CID 46910
Triethyl-[5-[5-(triethylazaniumyl)pentoxy]pentyl]azanium
CID 60620
N,N-bis(3-ethoxypropyl)tetradecan-1-amine
CID 3085382
Butyl-[2-[2-[butyl(dimethyl)azaniumyl]ethoxy]ethyl]-dimethylazanium,dibromide
CID 175685173
6-[6-(dimethylamino)hexoxy]-N,N-dimethylhexan-1-amine
CID 12295926

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine?
The IUPAC name of N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine (CID 162353484) is N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine.
What is the SMILES notation for N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine?
The canonical SMILES for N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine is CCCCCCN(C)C(C)OC(C)N(C)CCCCCC.
What is the InChIKey of N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine?
The InChIKey is UQENJKGJBYPING-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-7-9-11-13-15-19(5)17(3)21-18(4)20(6)16-14-12-10-8-2/h17-18H,7-16H2,1-6H3.
What are the key properties of N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine?
N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine has a molecular weight of 300.53 g/mol, XLogP of 4.72, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine is sourced from PubChem (CID 162353484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).