dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium

C21H33N2+ — CID 173352351

IUPACdimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium
SMILESCC(C)CC1(CC(C)C)C(=CC=[N+](C)C)N(C)c2ccccc21
InChIInChI=1S/C21H33N2/c1-16(2)14-21(15-17(3)4)18-10-8-9-11-19(18)23(7)20(21)12-13-22(5)6/h8-13,16-17H,14-15H2,1-7H3/q+1
InChIKeyZZEDBPABXPIVMY-UHFFFAOYSA-N
MW313.51 g/mol
LogP4.69
Rot. Bonds5

About dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium

dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium (PubChem CID 173352351) has the molecular formula C21H33N2+ and a molecular weight of 313.51 g/mol. Its IUPAC name is dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium.

Molecular Properties

Compound Namedimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium
PubChem CID173352351
Molecular FormulaC21H33N2+
Molecular Weight313.51 g/mol
Exact Mass313.26
IUPAC Namedimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium
SMILESCC(C)CC1(CC(C)C)C(=CC=[N+](C)C)N(C)c2ccccc21
InChIInChI=1S/C21H33N2/c1-16(2)14-21(15-17(3)4)18-10-8-9-11-19(18)23(7)20(21)12-13-22(5)6/h8-13,16-17H,14-15H2,1-7H3/q+1
InChIKeyZZEDBPABXPIVMY-UHFFFAOYSA-N
XLogP4.69
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium?
The IUPAC name of dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium (CID 173352351) is dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium.
What is the SMILES notation for dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium?
The canonical SMILES for dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium is CC(C)CC1(CC(C)C)C(=CC=[N+](C)C)N(C)c2ccccc21.
What is the InChIKey of dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium?
The InChIKey is ZZEDBPABXPIVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N2/c1-16(2)14-21(15-17(3)4)18-10-8-9-11-19(18)23(7)20(21)12-13-22(5)6/h8-13,16-17H,14-15H2,1-7H3/q+1.
What are the key properties of dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium?
dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium has a molecular weight of 313.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium is sourced from PubChem (CID 173352351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).