1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole

C18H29N — CID 22891124

IUPAC1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole
SMILESCC(C)CCCCN1CCc2c(C(C)C)cccc21
InChIInChI=1S/C18H29N/c1-14(2)8-5-6-12-19-13-11-17-16(15(3)4)9-7-10-18(17)19/h7,9-10,14-15H,5-6,8,11-13H2,1-4H3
InChIKeyNULKRLDGXOTUOW-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.00
Rot. Bonds6

About 1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole

1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole (PubChem CID 22891124) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole
PubChem CID22891124
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole
SMILESCC(C)CCCCN1CCc2c(C(C)C)cccc21
InChIInChI=1S/C18H29N/c1-14(2)8-5-6-12-19-13-11-17-16(15(3)4)9-7-10-18(17)19/h7,9-10,14-15H,5-6,8,11-13H2,1-4H3
InChIKeyNULKRLDGXOTUOW-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
1-(3-fluoropropyl)-2,3-dihydroindol-4-amine
CID 81106114
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine
CID 115106081
1-(5-methylhexyl)pyrrolidine-2,3-dione
CID 115325851
3-(3-hydroxypyrrolidin-1-yl)-1-(4-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 146299378
1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
CID 134506749
1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-4-amine
CID 83153620
2-(4-methyl-2,3-dihydroindol-1-yl)ethanol
CID 131065584
1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol
CID 162350038
1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
1-(7-methyloctyl)-1,3-diazinane-2,4-dione
CID 114004462
2-(6-methylheptyl)-3,4-dihydro-1H-isoquinoline
CID 59001097

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole?
The IUPAC name of 1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole (CID 22891124) is 1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for 1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole is CC(C)CCCCN1CCc2c(C(C)C)cccc21.
What is the InChIKey of 1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole?
The InChIKey is NULKRLDGXOTUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)8-5-6-12-19-13-11-17-16(15(3)4)9-7-10-18(17)19/h7,9-10,14-15H,5-6,8,11-13H2,1-4H3.
What are the key properties of 1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole?
1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole has a molecular weight of 259.44 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexyl)-4-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 22891124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).