3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine

C20H45InN2 — CID 171588709

IUPAC3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine
SMILESCC[In](CCCN(C(C)C)C(C)C)CCCN(C(C)C)C(C)C
InChIInChI=1S/2C9H20N.C2H5.In/c2*1-6-7-10(8(2)3)9(4)5;1-2;/h2*8-9H,1,6-7H2,2-5H3;1H2,2H3;
InChIKeyKUMZXNIRXXFYMF-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.52
Rot. Bonds13

About 3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine

3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 171588709) has the molecular formula C20H45InN2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine
PubChem CID171588709
Molecular FormulaC20H45InN2
Molecular Weight428.41 g/mol
Exact Mass428.26
IUPAC Name3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine
SMILESCC[In](CCCN(C(C)C)C(C)C)CCCN(C(C)C)C(C)C
InChIInChI=1S/2C9H20N.C2H5.In/c2*1-6-7-10(8(2)3)9(4)5;1-2;/h2*8-9H,1,6-7H2,2-5H3;1H2,2H3;
InChIKeyKUMZXNIRXXFYMF-UHFFFAOYSA-N
XLogP5.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine (CID 171588709) is 3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine is CC[In](CCCN(C(C)C)C(C)C)CCCN(C(C)C)C(C)C.
What is the InChIKey of 3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is KUMZXNIRXXFYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N.C2H5.In/c2*1-6-7-10(8(2)3)9(4)5;1-2;/h2*8-9H,1,6-7H2,2-5H3;1H2,2H3;.
What are the key properties of 3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine?
3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 428.41 g/mol, XLogP of 5.52, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 171588709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).