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

C18H41InN2 — CID 171588667

IUPAC3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCC[In](CCC)CCCN(CC)C(C)C
InChIInChI=1S/C8H18N.C7H16N.C3H7.In/c1-5-7-9(6-2)8(3)4;1-4-6-8(3)7-5-2;1-3-2;/h8H,1,5-7H2,2-4H3;1,4-7H2,2-3H3;1,3H2,2H3;
InChIKeyQIRMYKVZORGACN-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.74
Rot. Bonds14

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

3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine (PubChem CID 171588667) has the molecular formula C18H41InN2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
PubChem CID171588667
Molecular FormulaC18H41InN2
Molecular Weight400.36 g/mol
Exact Mass400.23
IUPAC Name3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCC[In](CCC)CCCN(CC)C(C)C
InChIInChI=1S/C8H18N.C7H16N.C3H7.In/c1-5-7-9(6-2)8(3)4;1-4-6-8(3)7-5-2;1-3-2;/h8H,1,5-7H2,2-4H3;1,4-7H2,2-3H3;1,3H2,2H3;
InChIKeyQIRMYKVZORGACN-UHFFFAOYSA-N
XLogP4.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.74
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-methylpropan-1-amine
CID 171588607
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588524
N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588480
N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588666
N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 178016372
3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine
CID 171588649
N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine
CID 171588425
3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
CID 171588740
N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine
CID 171588701
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine
CID 171588546
3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588516

Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine (CID 171588667) is 3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine is CCCN(C)CCC[In](CCC)CCCN(CC)C(C)C.
What is the InChIKey of 3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine?
The InChIKey is QIRMYKVZORGACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.C7H16N.C3H7.In/c1-5-7-9(6-2)8(3)4;1-4-6-8(3)7-5-2;1-3-2;/h8H,1,5-7H2,2-4H3;1,4-7H2,2-3H3;1,3H2,2H3;.
What are the key properties of 3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine?
3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine has a molecular weight of 400.36 g/mol, XLogP of 4.74, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 171588667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).