CID 11431888

C14H38In2N2O2 — CID 11431888

IUPAC—
SMILESCN(C)CCCO.CN(C)CCCO.C[In]C.C[In]C
InChIInChI=1S/2C5H13NO.4CH3.2In/c2*1-6(2)4-3-5-7;;;;;;/h2*7H,3-5H2,1-2H3;4*1H3;;
InChIKeySHIKUQNCGWKCHU-UHFFFAOYSA-N
MW496.11 g/mol
LogP1.43
Rot. Bonds6

About CID 11431888

CID 11431888 (PubChem CID 11431888) has the molecular formula C14H38In2N2O2 and a molecular weight of 496.11 g/mol.

Molecular Properties

Compound NameCID 11431888
PubChem CID11431888
Molecular FormulaC14H38In2N2O2
Molecular Weight496.11 g/mol
Exact Mass496.10
IUPAC Name—
SMILESCN(C)CCCO.CN(C)CCCO.C[In]C.C[In]C
InChIInChI=1S/2C5H13NO.4CH3.2In/c2*1-6(2)4-3-5-7;;;;;;/h2*7H,3-5H2,1-2H3;4*1H3;;
InChIKeySHIKUQNCGWKCHU-UHFFFAOYSA-N
XLogP1.43
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.11
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 142056104
3-(dimethylamino)propan-1-ol;N-methylmethanamine;phosphorosomethane;bis(yttrium)
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CID 161066727
CID 161066727
copper;bis(2-(dimethylamino)ethanol)
CID 58904293
6-[6-(dimethylamino)hexoxy]hexan-1-ol
CID 54275825
1-aminopropane-1-sulfonic acid;3-(dimethylamino)propan-1-ol
CID 174873794
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
N-[3-(dimethylamino)propyl]-4-hydroxy-N-methylbutanamide
CID 79191572
N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium
CID 172685114
3-[[3-(dimethylamino)propyl-ethylsulfamoyl]-methylamino]propan-1-ol
CID 102998470
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyldodecan-1-amine;hexane-1,6-diol;dihydrochloride
CID 158316231

Frequently Asked Questions

What is the IUPAC name of CID 11431888?
The IUPAC name of CID 11431888 (CID 11431888) is not available.
What is the SMILES notation for CID 11431888?
The canonical SMILES for CID 11431888 is CN(C)CCCO.CN(C)CCCO.C[In]C.C[In]C.
What is the InChIKey of CID 11431888?
The InChIKey is SHIKUQNCGWKCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H13NO.4CH3.2In/c2*1-6(2)4-3-5-7;;;;;;/h2*7H,3-5H2,1-2H3;4*1H3;;.
What are the key properties of CID 11431888?
CID 11431888 has a molecular weight of 496.11 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11431888 is sourced from PubChem (CID 11431888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).