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

4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine
CID 171588445
N,N-diethyl-4-silylbutan-1-amine
CID 123327780
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine
CID 171588469
4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine
CID 171588564
N',N'-diethylnonane-1,9-diamine
CID 22055140
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
20-[20-(diethylamino)icosoxy]-N,N-diethylicosan-1-amine
CID 87698049
5-chloro-N,N-diethylpentan-1-amine;hydrochloride
CID 86222829
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
4-dimethylgallanyl-N,N-diethylbutan-1-amine
CID 19877470
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522

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).