3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine

C17H39InN2 — CID 171588516

IUPAC3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCC[In](C)CCCN(CCC)CCC
InChIInChI=1S/C9H20N.C7H16N.CH3.In/c1-4-7-10(8-5-2)9-6-3;1-4-6-8(3)7-5-2;;/h1,4-9H2,2-3H3;1,4-7H2,2-3H3;1H3;
InChIKeyUDWYYCHFZPADIE-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.36
Rot. Bonds14

About 3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine

3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine (PubChem CID 171588516) has the molecular formula C17H39InN2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine
PubChem CID171588516
Molecular FormulaC17H39InN2
Molecular Weight386.33 g/mol
Exact Mass386.22
IUPAC Name3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCC[In](C)CCCN(CCC)CCC
InChIInChI=1S/C9H20N.C7H16N.CH3.In/c1-4-7-10(8-5-2)9-6-3;1-4-6-8(3)7-5-2;;/h1,4-9H2,2-3H3;1,4-7H2,2-3H3;1H3;
InChIKeyUDWYYCHFZPADIE-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine
CID 171588701
3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine
CID 171588649
3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
CID 171588740
ethane;3-fluoro-N-methyl-N-propylpropan-1-amine
CID 142123052
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
N-methyl-N-propyldecan-1-amine
CID 13122225
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
CID 170755235
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
4-ethyl-N'-hexyl-N'-methyl-N,N-dipropylheptane-1,7-diamine
CID 135172442
N,N-dipropylpropan-1-amine;propane
CID 174574210

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine (CID 171588516) is 3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine is CCCN(C)CCC[In](C)CCCN(CCC)CCC.
What is the InChIKey of 3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine?
The InChIKey is UDWYYCHFZPADIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.C7H16N.CH3.In/c1-4-7-10(8-5-2)9-6-3;1-4-6-8(3)7-5-2;;/h1,4-9H2,2-3H3;1,4-7H2,2-3H3;1H3;.
What are the key properties of 3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine?
3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine has a molecular weight of 386.33 g/mol, XLogP of 4.36, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 171588516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).