N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine

C22H48N2O — CID 162353475

IUPACN-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine
SMILESCCCCN(CCC(C)C)C(C)OC(C)N(CCCC)CCC(C)C
InChIInChI=1S/C22H48N2O/c1-9-11-15-23(17-13-19(3)4)21(7)25-22(8)24(16-12-10-2)18-14-20(5)6/h19-22H,9-18H2,1-8H3
InChIKeyJNBYICHIJLLMGN-UHFFFAOYSA-N
MW356.64 g/mol
LogP5.99
Rot. Bonds16

About N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine

N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine (PubChem CID 162353475) has the molecular formula C22H48N2O and a molecular weight of 356.64 g/mol. Its IUPAC name is N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine
PubChem CID162353475
Molecular FormulaC22H48N2O
Molecular Weight356.64 g/mol
Exact Mass356.38
IUPAC NameN-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine
SMILESCCCCN(CCC(C)C)C(C)OC(C)N(CCCC)CCC(C)C
InChIInChI=1S/C22H48N2O/c1-9-11-15-23(17-13-19(3)4)21(7)25-22(8)24(16-12-10-2)18-14-20(5)6/h19-22H,9-18H2,1-8H3
InChIKeyJNBYICHIJLLMGN-UHFFFAOYSA-N
XLogP5.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6,10,13-Tetramethyl-1-oxa-6,10-diazacyclotetradecane
CID 15420794
1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine
CID 19822679
N-[1-[1-[1-[1-(dipropylamino)ethoxy]ethyl-propylamino]ethoxy]ethyl]-N-propylpropan-1-amine
CID 19822681
1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine
CID 19822684
N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine
CID 19822688
Ethanolate;tetrakis(3-methylbutyl)azanium
CID 20333542
Propan-1-olate;tetrakis(3-methylbutyl)azanium
CID 20333564
Tripropyl-[1-[1-(tripropylazaniumyl)ethoxy]ethyl]azanium
CID 22114471
1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine
CID 22114476
Triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium
CID 22114479
1-[1-(diethylamino)propoxy]-N,N-diethylpropan-1-amine
CID 23506165
2-[[4-(dimethylamino)-2-[(dimethylamino)methyl]butoxy]methyl]-N,N,N',N'-tetramethylbutane-1,4-diamine
CID 53785083

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine (CID 162353475) is N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine is CCCCN(CCC(C)C)C(C)OC(C)N(CCCC)CCC(C)C.
What is the InChIKey of N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine?
The InChIKey is JNBYICHIJLLMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O/c1-9-11-15-23(17-13-19(3)4)21(7)25-22(8)24(16-12-10-2)18-14-20(5)6/h19-22H,9-18H2,1-8H3.
What are the key properties of N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine?
N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine has a molecular weight of 356.64 g/mol, XLogP of 5.99, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 162353475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).