4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine

C14H32InN — CID 171588445

IUPAC4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCC[In](C(C)C)C(C)C
InChIInChI=1S/C8H18N.2C3H7.In/c1-4-7-8-9(5-2)6-3;2*1-3-2;/h1,4-8H2,2-3H3;2*3H,1-2H3;
InChIKeyLKRBSCQFTYRQAI-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.42
Rot. Bonds9

About 4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine

4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine (PubChem CID 171588445) has the molecular formula C14H32InN and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine
PubChem CID171588445
Molecular FormulaC14H32InN
Molecular Weight329.24 g/mol
Exact Mass329.16
IUPAC Name4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCC[In](C(C)C)C(C)C
InChIInChI=1S/C8H18N.2C3H7.In/c1-4-7-8-9(5-2)6-3;2*1-3-2;/h1,4-8H2,2-3H3;2*3H,1-2H3;
InChIKeyLKRBSCQFTYRQAI-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine
CID 171588469
4-dimethylindiganyl-N,N-diethylbutan-1-amine
CID 171588521
7-(diethylamino)heptan-2-ol
CID 168866586
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine
CID 171588649
N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine
CID 171588510
6-(diethylamino)hexane-1,2-diol
CID 18995566
N,N-diethyl-4-silylbutan-1-amine
CID 123327780
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042

Frequently Asked Questions

What is the IUPAC name of 4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine?
The IUPAC name of 4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine (CID 171588445) is 4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine is CCN(CC)CCCC[In](C(C)C)C(C)C.
What is the InChIKey of 4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine?
The InChIKey is LKRBSCQFTYRQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.2C3H7.In/c1-4-7-8-9(5-2)6-3;2*1-3-2;/h1,4-8H2,2-3H3;2*3H,1-2H3;.
What are the key properties of 4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine?
4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine has a molecular weight of 329.24 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine is sourced from PubChem (CID 171588445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).