1-(3,6-dimethylheptyl)indole

C17H25N — CID 57308424

IUPAC1-(3,6-dimethylheptyl)indole
SMILESCC(C)CCC(C)CCn1ccc2ccccc21
InChIInChI=1S/C17H25N/c1-14(2)8-9-15(3)10-12-18-13-11-16-6-4-5-7-17(16)18/h4-7,11,13-15H,8-10,12H2,1-3H3
InChIKeyMQLSNXVZMRYIPS-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.10
Rot. Bonds6

About 1-(3,6-dimethylheptyl)indole

1-(3,6-dimethylheptyl)indole (PubChem CID 57308424) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(3,6-dimethylheptyl)indole.

Molecular Properties

Compound Name1-(3,6-dimethylheptyl)indole
PubChem CID57308424
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(3,6-dimethylheptyl)indole
SMILESCC(C)CCC(C)CCn1ccc2ccccc21
InChIInChI=1S/C17H25N/c1-14(2)8-9-15(3)10-12-18-13-11-16-6-4-5-7-17(16)18/h4-7,11,13-15H,8-10,12H2,1-3H3
InChIKeyMQLSNXVZMRYIPS-UHFFFAOYSA-N
XLogP5.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoroethyl)indole
CID 80694500
6-bromo-1-(3-methylbutyl)indole
CID 116621828
3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-fluoropropyl)indole
CID 81113690
(2S)-3-indol-1-yl-2-methylpropan-1-ol
CID 139469635
(3-indol-1-yl-1-phenylsilylpropyl)-phenylsilane
CID 151371489
CID 58655955
CID 58655955
1-indol-1-ylpropan-2-amine
CID 20806570
N-(3-indol-1-ylpropyl)pentan-2-amine
CID 43101059
1-ethylindole;propane
CID 91144409
1-(2-phenylethyl)indole
CID 12601752
3-indol-1-ylpropane-1-thiol
CID 139540347

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylheptyl)indole?
The IUPAC name of 1-(3,6-dimethylheptyl)indole (CID 57308424) is 1-(3,6-dimethylheptyl)indole.
What is the SMILES notation for 1-(3,6-dimethylheptyl)indole?
The canonical SMILES for 1-(3,6-dimethylheptyl)indole is CC(C)CCC(C)CCn1ccc2ccccc21.
What is the InChIKey of 1-(3,6-dimethylheptyl)indole?
The InChIKey is MQLSNXVZMRYIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-14(2)8-9-15(3)10-12-18-13-11-16-6-4-5-7-17(16)18/h4-7,11,13-15H,8-10,12H2,1-3H3.
What are the key properties of 1-(3,6-dimethylheptyl)indole?
1-(3,6-dimethylheptyl)indole has a molecular weight of 243.39 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylheptyl)indole is sourced from PubChem (CID 57308424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).