4-dimethylindiganyl-N,N-diethylbutan-1-amine

C10H24InN — CID 171588521

IUPAC4-dimethylindiganyl-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCC[In](C)C
InChIInChI=1S/C8H18N.2CH3.In/c1-4-7-8-9(5-2)6-3;;;/h1,4-8H2,2-3H3;2*1H3;
InChIKeyIBYAKCNGUPCJHQ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.86
Rot. Bonds7

About 4-dimethylindiganyl-N,N-diethylbutan-1-amine

4-dimethylindiganyl-N,N-diethylbutan-1-amine (PubChem CID 171588521) has the molecular formula C10H24InN and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-dimethylindiganyl-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-dimethylindiganyl-N,N-diethylbutan-1-amine
PubChem CID171588521
Molecular FormulaC10H24InN
Molecular Weight273.13 g/mol
Exact Mass273.09
IUPAC Name4-dimethylindiganyl-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCC[In](C)C
InChIInChI=1S/C8H18N.2CH3.In/c1-4-7-8-9(5-2)6-3;;;/h1,4-8H2,2-3H3;2*1H3;
InChIKeyIBYAKCNGUPCJHQ-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Propylpiperidine
CID 21644
Mepiquat
CID 18743
1-Ethyl-1-methylpiperidinium iodide
CID 20153
1-Butyl-1-methylpiperidinium bromide
CID 19838382
1-Methyl-1-propylpiperidinium iodide
CID 60196387
1-Pentylpiperidine
CID 25153
1-Butyl-1-methylpiperidinium iodide
CID 60196384
1-Butylpiperidine
CID 78654
1-Methyl-1-propylpiperidinium bromide
CID 60196385
Piperidine, 1-propyl-, hydrochloride
CID 205379
1-Butyl-1-methylpiperidinium chloride
CID 57519175
Piperidinium, 1-ethyl-1-methyl-, bromide
CID 20154

Frequently Asked Questions

What is the IUPAC name of 4-dimethylindiganyl-N,N-diethylbutan-1-amine?
The IUPAC name of 4-dimethylindiganyl-N,N-diethylbutan-1-amine (CID 171588521) is 4-dimethylindiganyl-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-dimethylindiganyl-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-dimethylindiganyl-N,N-diethylbutan-1-amine is CCN(CC)CCCC[In](C)C.
What is the InChIKey of 4-dimethylindiganyl-N,N-diethylbutan-1-amine?
The InChIKey is IBYAKCNGUPCJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.2CH3.In/c1-4-7-8-9(5-2)6-3;;;/h1,4-8H2,2-3H3;2*1H3;.
What are the key properties of 4-dimethylindiganyl-N,N-diethylbutan-1-amine?
4-dimethylindiganyl-N,N-diethylbutan-1-amine has a molecular weight of 273.13 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylindiganyl-N,N-diethylbutan-1-amine is sourced from PubChem (CID 171588521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).