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

C21H47InN2 — CID 171588480

IUPACN-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
SMILESCCCN(CCC[In](CCC)CCCN(CCC)C(C)C)C(C)C
InChIInChI=1S/2C9H20N.C3H7.In/c2*1-5-7-10(8-6-2)9(3)4;1-3-2;/h2*9H,1,5-8H2,2-4H3;1,3H2,2H3;
InChIKeyDTIQFJPKCDRZLW-UHFFFAOYSA-N
MW442.44 g/mol
LogP5.91
Rot. Bonds16

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

N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine (PubChem CID 171588480) has the molecular formula C21H47InN2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
PubChem CID171588480
Molecular FormulaC21H47InN2
Molecular Weight442.44 g/mol
Exact Mass442.28
IUPAC NameN-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
SMILESCCCN(CCC[In](CCC)CCCN(CCC)C(C)C)C(C)C
InChIInChI=1S/2C9H20N.C3H7.In/c2*1-5-7-10(8-6-2)9(3)4;1-3-2;/h2*9H,1,5-8H2,2-4H3;1,3H2,2H3;
InChIKeyDTIQFJPKCDRZLW-UHFFFAOYSA-N
XLogP5.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.91
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(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588524
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588607
N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine
CID 171588425
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-propan-2-yl-N-propylhex-5-en-1-amine
CID 174192838
2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine
CID 82682516
3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine
CID 164556993
zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine
CID 171588586

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine?
The IUPAC name of N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine (CID 171588480) is N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine is CCCN(CCC[In](CCC)CCCN(CCC)C(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine?
The InChIKey is DTIQFJPKCDRZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N.C3H7.In/c2*1-5-7-10(8-6-2)9(3)4;1-3-2;/h2*9H,1,5-8H2,2-4H3;1,3H2,2H3;.
What are the key properties of N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine?
N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine has a molecular weight of 442.44 g/mol, XLogP of 5.91, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine is sourced from PubChem (CID 171588480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).