2-cyclopropyl-1-hexyl-2,3-dihydroindole

C17H25N — CID 11096828

IUPAC2-cyclopropyl-1-hexyl-2,3-dihydroindole
SMILESCCCCCCN1c2ccccc2CC1C1CC1
InChIInChI=1S/C17H25N/c1-2-3-4-7-12-18-16-9-6-5-8-15(16)13-17(18)14-10-11-14/h5-6,8-9,14,17H,2-4,7,10-13H2,1H3
InChIKeyRNTPQSWPBURCIK-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.41
Rot. Bonds6

About 2-cyclopropyl-1-hexyl-2,3-dihydroindole

2-cyclopropyl-1-hexyl-2,3-dihydroindole (PubChem CID 11096828) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-hexyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-cyclopropyl-1-hexyl-2,3-dihydroindole
PubChem CID11096828
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-cyclopropyl-1-hexyl-2,3-dihydroindole
SMILESCCCCCCN1c2ccccc2CC1C1CC1
InChIInChI=1S/C17H25N/c1-2-3-4-7-12-18-16-9-6-5-8-15(16)13-17(18)14-10-11-14/h5-6,8-9,14,17H,2-4,7,10-13H2,1H3
InChIKeyRNTPQSWPBURCIK-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.41
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-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
CID 63527317
methyl 1-heptyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 142683779
2-bromo-1,3-dihexadecyl-2H-benzimidazole
CID 175104565
1-butyl-3,4-dihydro-2H-quinolin-2-amine
CID 146573468
4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol
CID 152668291
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 102567896
(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 99982020
1-methyl-3-pentyl-3,4-dihydro-2H-quinoline
CID 176730393
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-hexyl-2,3-dihydroindole?
The IUPAC name of 2-cyclopropyl-1-hexyl-2,3-dihydroindole (CID 11096828) is 2-cyclopropyl-1-hexyl-2,3-dihydroindole.
What is the SMILES notation for 2-cyclopropyl-1-hexyl-2,3-dihydroindole?
The canonical SMILES for 2-cyclopropyl-1-hexyl-2,3-dihydroindole is CCCCCCN1c2ccccc2CC1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-hexyl-2,3-dihydroindole?
The InChIKey is RNTPQSWPBURCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-3-4-7-12-18-16-9-6-5-8-15(16)13-17(18)14-10-11-14/h5-6,8-9,14,17H,2-4,7,10-13H2,1H3.
What are the key properties of 2-cyclopropyl-1-hexyl-2,3-dihydroindole?
2-cyclopropyl-1-hexyl-2,3-dihydroindole has a molecular weight of 243.39 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-hexyl-2,3-dihydroindole is sourced from PubChem (CID 11096828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).