1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole

C25H33N — CID 155321987

IUPAC1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole
SMILESCc1ccc2c(c1)c(C(C)CCC(C)c1cccc(C(C)C)c1)cn2C
InChIInChI=1S/C25H33N/c1-17(2)21-8-7-9-22(15-21)19(4)11-12-20(5)24-16-26(6)25-13-10-18(3)14-23(24)25/h7-10,13-17,19-20H,11-12H2,1-6H3
InChIKeyZEAKRRNQEMMPIV-UHFFFAOYSA-N
MW347.55 g/mol
LogP7.30
Rot. Bonds6

About 1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole

1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole (PubChem CID 155321987) has the molecular formula C25H33N and a molecular weight of 347.55 g/mol. Its IUPAC name is 1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole.

Molecular Properties

Compound Name1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole
PubChem CID155321987
Molecular FormulaC25H33N
Molecular Weight347.55 g/mol
Exact Mass347.26
IUPAC Name1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole
SMILESCc1ccc2c(c1)c(C(C)CCC(C)c1cccc(C(C)C)c1)cn2C
InChIInChI=1S/C25H33N/c1-17(2)21-8-7-9-22(15-21)19(4)11-12-20(5)24-16-26(6)25-13-10-18(3)14-23(24)25/h7-10,13-17,19-20H,11-12H2,1-6H3
InChIKeyZEAKRRNQEMMPIV-UHFFFAOYSA-N
XLogP7.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole?
The IUPAC name of 1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole (CID 155321987) is 1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole.
What is the SMILES notation for 1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole?
The canonical SMILES for 1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole is Cc1ccc2c(c1)c(C(C)CCC(C)c1cccc(C(C)C)c1)cn2C.
What is the InChIKey of 1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole?
The InChIKey is ZEAKRRNQEMMPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N/c1-17(2)21-8-7-9-22(15-21)19(4)11-12-20(5)24-16-26(6)25-13-10-18(3)14-23(24)25/h7-10,13-17,19-20H,11-12H2,1-6H3.
What are the key properties of 1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole?
1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole has a molecular weight of 347.55 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole is sourced from PubChem (CID 155321987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).