3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole

C16H25N — CID 106701914

IUPAC3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole
SMILESCCCCC1(CC)CNc2c(C)cc(C)cc21
InChIInChI=1S/C16H25N/c1-5-7-8-16(6-2)11-17-15-13(4)9-12(3)10-14(15)16/h9-10,17H,5-8,11H2,1-4H3
InChIKeyYGOYYRDDPYJVLA-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.57
Rot. Bonds4

About 3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole

3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole (PubChem CID 106701914) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole
PubChem CID106701914
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole
SMILESCCCCC1(CC)CNc2c(C)cc(C)cc21
InChIInChI=1S/C16H25N/c1-5-7-8-16(6-2)11-17-15-13(4)9-12(3)10-14(15)16/h9-10,17H,5-8,11H2,1-4H3
InChIKeyYGOYYRDDPYJVLA-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5,7-trimethyl-3-propan-2-yl-1,2-dihydroindole
CID 106701894
2-butyl-1,3,5-trimethylbenzene
CID 527298
2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine
CID 162726892
3-butyl-3,5-dimethyl-1,2-dihydroindene
CID 59994805
1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene
CID 91073277
5-bromo-3,3,7-trimethyl-1,2-dihydroindole
CID 79016325
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
3-butyl-3-ethyl-8-methoxy-2,5-dihydro-1,5-benzothiazepin-4-one
CID 19599377
1-heptyl-2,3,5-trimethylbenzene
CID 90943000
3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione
CID 115431328
2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one
CID 106702080

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole?
The IUPAC name of 3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole (CID 106701914) is 3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole?
The canonical SMILES for 3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole is CCCCC1(CC)CNc2c(C)cc(C)cc21.
What is the InChIKey of 3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole?
The InChIKey is YGOYYRDDPYJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-7-8-16(6-2)11-17-15-13(4)9-12(3)10-14(15)16/h9-10,17H,5-8,11H2,1-4H3.
What are the key properties of 3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole?
3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole has a molecular weight of 231.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 106701914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).