N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine

C19H43InN2 — CID 171588524

IUPACN-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
SMILESCCCN(CC)CCC[In](CCC)CCCN(CC)C(C)C
InChIInChI=1S/2C8H18N.C3H7.In/c1-5-7-9(6-2)8(3)4;1-4-7-9(6-3)8-5-2;1-3-2;/h8H,1,5-7H2,2-4H3;1,4-8H2,2-3H3;1,3H2,2H3;
InChIKeyLADNNJAFWZCBOT-UHFFFAOYSA-N
MW414.39 g/mol
LogP5.13
Rot. Bonds15

About N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine

N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine (PubChem CID 171588524) has the molecular formula C19H43InN2 and a molecular weight of 414.39 g/mol. Its IUPAC name is N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
PubChem CID171588524
Molecular FormulaC19H43InN2
Molecular Weight414.39 g/mol
Exact Mass414.25
IUPAC NameN-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
SMILESCCCN(CC)CCC[In](CCC)CCCN(CC)C(C)C
InChIInChI=1S/2C8H18N.C3H7.In/c1-5-7-9(6-2)8(3)4;1-4-7-9(6-3)8-5-2;1-3-2;/h8H,1,5-7H2,2-4H3;1,4-8H2,2-3H3;1,3H2,2H3;
InChIKeyLADNNJAFWZCBOT-UHFFFAOYSA-N
XLogP5.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588667
N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588480
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588607
N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine
CID 171588717
N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine
CID 171588510
N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine
CID 171588425
N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine
CID 171588546
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine?
The IUPAC name of N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine (CID 171588524) is N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine?
The canonical SMILES for N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine is CCCN(CC)CCC[In](CCC)CCCN(CC)C(C)C.
What is the InChIKey of N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine?
The InChIKey is LADNNJAFWZCBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N.C3H7.In/c1-5-7-9(6-2)8(3)4;1-4-7-9(6-3)8-5-2;1-3-2;/h8H,1,5-7H2,2-4H3;1,4-8H2,2-3H3;1,3H2,2H3;.
What are the key properties of N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine?
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine has a molecular weight of 414.39 g/mol, XLogP of 5.13, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine is sourced from PubChem (CID 171588524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).