N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine

C18H41InN2 — CID 171588717

IUPACN-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine
SMILESCCCN(CC)CCC[In](CC)CCCN(CC)CCC
InChIInChI=1S/2C8H18N.C2H5.In/c2*1-4-7-9(6-3)8-5-2;1-2;/h2*1,4-8H2,2-3H3;1H2,2H3;
InChIKeyRYRFHAXDBMWLKO-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.75
Rot. Bonds15

About N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine

N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine (PubChem CID 171588717) has the molecular formula C18H41InN2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine
PubChem CID171588717
Molecular FormulaC18H41InN2
Molecular Weight400.36 g/mol
Exact Mass400.23
IUPAC NameN-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine
SMILESCCCN(CC)CCC[In](CC)CCCN(CC)CCC
InChIInChI=1S/2C8H18N.C2H5.In/c2*1-4-7-9(6-3)8-5-2;1-2;/h2*1,4-8H2,2-3H3;1H2,2H3;
InChIKeyRYRFHAXDBMWLKO-UHFFFAOYSA-N
XLogP4.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588524
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine
CID 171588510
N-ethyl-N-propyldecan-1-amine
CID 56933807
3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
CID 171588740
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
4-[ethyl(propyl)amino]butane-1-thiol
CID 23362339
3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine
CID 171588709

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine?
The IUPAC name of N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine (CID 171588717) is N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine?
The canonical SMILES for N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine is CCCN(CC)CCC[In](CC)CCCN(CC)CCC.
What is the InChIKey of N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine?
The InChIKey is RYRFHAXDBMWLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N.C2H5.In/c2*1-4-7-9(6-3)8-5-2;1-2;/h2*1,4-8H2,2-3H3;1H2,2H3;.
What are the key properties of N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine?
N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine has a molecular weight of 400.36 g/mol, XLogP of 4.75, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine is sourced from PubChem (CID 171588717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).