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

C17H39InN2 — CID 171588607

IUPACN-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
SMILESCCC[In](CCCN(C)CC)CCCN(CC)C(C)C
InChIInChI=1S/C8H18N.C6H14N.C3H7.In/c1-5-7-9(6-2)8(3)4;1-4-6-7(3)5-2;1-3-2;/h8H,1,5-7H2,2-4H3;1,4-6H2,2-3H3;1,3H2,2H3;
InChIKeyQFNWYRLODZSAQL-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.35
Rot. Bonds13

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

N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine (PubChem CID 171588607) has the molecular formula C17H39InN2 and a molecular weight of 386.33 g/mol. Its IUPAC name is N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
PubChem CID171588607
Molecular FormulaC17H39InN2
Molecular Weight386.33 g/mol
Exact Mass386.22
IUPAC NameN-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
SMILESCCC[In](CCCN(C)CC)CCCN(CC)C(C)C
InChIInChI=1S/C8H18N.C6H14N.C3H7.In/c1-5-7-9(6-2)8(3)4;1-4-6-7(3)5-2;1-3-2;/h8H,1,5-7H2,2-4H3;1,4-6H2,2-3H3;1,3H2,2H3;
InChIKeyQFNWYRLODZSAQL-UHFFFAOYSA-N
XLogP4.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.35
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-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588666
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,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine
CID 171588425
N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 178016372
N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine
CID 171588546
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
N-ethyl-N-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 165119291
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-ethyl-N-methyltridecan-1-amine
CID 71442842

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine?
The IUPAC name of N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine (CID 171588607) is N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine?
The canonical SMILES for N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine is CCC[In](CCCN(C)CC)CCCN(CC)C(C)C.
What is the InChIKey of N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine?
The InChIKey is QFNWYRLODZSAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.C6H14N.C3H7.In/c1-5-7-9(6-2)8(3)4;1-4-6-7(3)5-2;1-3-2;/h8H,1,5-7H2,2-4H3;1,4-6H2,2-3H3;1,3H2,2H3;.
What are the key properties of N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine?
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine has a molecular weight of 386.33 g/mol, XLogP of 4.35, 13 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-methylpropan-1-amine is sourced from PubChem (CID 171588607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).