3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine

C14H33InN2 — CID 171588740

IUPAC3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
SMILESCCCN(C)CCC[In](CC)CCCN(C)C
InChIInChI=1S/C7H16N.C5H12N.C2H5.In/c1-4-6-8(3)7-5-2;1-4-5-6(2)3;1-2;/h1,4-7H2,2-3H3;1,4-5H2,2-3H3;1H2,2H3;
InChIKeyZPQDGLSNCDFHNF-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.18
Rot. Bonds11

About 3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine

3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine (PubChem CID 171588740) has the molecular formula C14H33InN2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
PubChem CID171588740
Molecular FormulaC14H33InN2
Molecular Weight344.25 g/mol
Exact Mass344.17
IUPAC Name3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
SMILESCCCN(C)CCC[In](CC)CCCN(C)C
InChIInChI=1S/C7H16N.C5H12N.C2H5.In/c1-4-6-8(3)7-5-2;1-4-5-6(2)3;1-2;/h1,4-7H2,2-3H3;1,4-5H2,2-3H3;1H2,2H3;
InChIKeyZPQDGLSNCDFHNF-UHFFFAOYSA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine
CID 171588717
3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine
CID 171588649
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819
3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588667
N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588666
3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588516
propane;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 144610913
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
N-methyl-N-propyldecan-1-amine
CID 13122225
N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine
CID 171588425

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine (CID 171588740) is 3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine is CCCN(C)CCC[In](CC)CCCN(C)C.
What is the InChIKey of 3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZPQDGLSNCDFHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.C5H12N.C2H5.In/c1-4-6-8(3)7-5-2;1-4-5-6(2)3;1-2;/h1,4-7H2,2-3H3;1,4-5H2,2-3H3;1H2,2H3;.
What are the key properties of 3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine?
3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine has a molecular weight of 344.25 g/mol, XLogP of 3.18, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 171588740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).