2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine

C23H32N4 — CID 89209266

IUPAC2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(N)cc1C(C)(C)CC=C1N(C)c2ccc(N)cc2C1(C)C
InChIInChI=1S/C23H32N4/c1-22(2,17-13-15(24)7-9-19(17)26-5)12-11-21-23(3,4)18-14-16(25)8-10-20(18)27(21)6/h7-11,13-14,26H,12,24-25H2,1-6H3
InChIKeyNXKACNKFSDFVAK-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.87
Rot. Bonds4

About 2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine

2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine (PubChem CID 89209266) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine
PubChem CID89209266
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(N)cc1C(C)(C)CC=C1N(C)c2ccc(N)cc2C1(C)C
InChIInChI=1S/C23H32N4/c1-22(2,17-13-15(24)7-9-19(17)26-5)12-11-21-23(3,4)18-14-16(25)8-10-20(18)27(21)6/h7-11,13-14,26H,12,24-25H2,1-6H3
InChIKeyNXKACNKFSDFVAK-UHFFFAOYSA-N
XLogP4.87
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine (CID 89209266) is 2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine is CNc1ccc(N)cc1C(C)(C)CC=C1N(C)c2ccc(N)cc2C1(C)C.
What is the InChIKey of 2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine?
The InChIKey is NXKACNKFSDFVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4/c1-22(2,17-13-15(24)7-9-19(17)26-5)12-11-21-23(3,4)18-14-16(25)8-10-20(18)27(21)6/h7-11,13-14,26H,12,24-25H2,1-6H3.
What are the key properties of 2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine?
2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine has a molecular weight of 364.54 g/mol, XLogP of 4.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 89209266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).