N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine

C14H32InN — CID 171588510

IUPACN-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine
SMILESCCCN(CC)CCC[In](CCC)C(C)C
InChIInChI=1S/C8H18N.2C3H7.In/c1-4-7-9(6-3)8-5-2;2*1-3-2;/h1,4-8H2,2-3H3;3H,1-2H3;1,3H2,2H3;
InChIKeyMUWHEKFMFKUJMI-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.42
Rot. Bonds10

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

N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine (PubChem CID 171588510) has the molecular formula C14H32InN and a molecular weight of 329.24 g/mol. Its IUPAC name is N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine
PubChem CID171588510
Molecular FormulaC14H32InN
Molecular Weight329.24 g/mol
Exact Mass329.16
IUPAC NameN-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine
SMILESCCCN(CC)CCC[In](CCC)C(C)C
InChIInChI=1S/C8H18N.2C3H7.In/c1-4-7-9(6-3)8-5-2;2*1-3-2;/h1,4-8H2,2-3H3;3H,1-2H3;1,3H2,2H3;
InChIKeyMUWHEKFMFKUJMI-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine
CID 171588469
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588524
N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine
CID 171588717
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
N-ethyl-4-methyl-N-propylhexan-1-amine
CID 142891130
N-ethyl-N-propyldecan-1-amine
CID 56933807
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine?
The IUPAC name of N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine (CID 171588510) is N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine?
The canonical SMILES for N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine is CCCN(CC)CCC[In](CCC)C(C)C.
What is the InChIKey of N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine?
The InChIKey is MUWHEKFMFKUJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.2C3H7.In/c1-4-7-9(6-3)8-5-2;2*1-3-2;/h1,4-8H2,2-3H3;3H,1-2H3;1,3H2,2H3;.
What are the key properties of N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine?
N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine has a molecular weight of 329.24 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine is sourced from PubChem (CID 171588510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).