(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole

C15H23N — CID 163690232

IUPAC(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole
SMILESCCCCC[C@@H]1[C@H](C)c2ccccc2N1C
InChIInChI=1S/C15H23N/c1-4-5-6-10-14-12(2)13-9-7-8-11-15(13)16(14)3/h7-9,11-12,14H,4-6,10H2,1-3H3/t12-,14-/m1/s1
InChIKeyJSJDYSGPYHAJTD-TZMCWYRMSA-N
MW217.36 g/mol
LogP4.19
Rot. Bonds4

About (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole

(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole (PubChem CID 163690232) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole
PubChem CID163690232
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole
SMILESCCCCC[C@@H]1[C@H](C)c2ccccc2N1C
InChIInChI=1S/C15H23N/c1-4-5-6-10-14-12(2)13-9-7-8-11-15(13)16(14)3/h7-9,11-12,14H,4-6,10H2,1-3H3/t12-,14-/m1/s1
InChIKeyJSJDYSGPYHAJTD-TZMCWYRMSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 71387028
ethane;1,2,3-trimethyl-2,3-dihydroindole
CID 91500184
2,3-dimethyl-1-propyl-2,3-dihydroindole
CID 161026697
9-nonyl-9H-fluorene
CID 22568532
1-butyl-3-methyl-2,3-dihydroindole;ethane
CID 143458411
2,2-dimethyl-1-[(2S,3R)-2-pentyl-3-phenyl-2,3-dihydroindol-1-yl]propan-1-one
CID 102192645
methyl (2R,4S)-2-butyl-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 10515573
1-methyl-3-pentyl-3,4-dihydro-2H-quinoline
CID 176730393
2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid
CID 91464048
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
2-bromo-1,3-dihexadecyl-2H-benzimidazole
CID 175104565
(1R,3R)-1-butyl-3-methyl-1,3-dihydro-2-benzofuran
CID 12997130

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole?
The IUPAC name of (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole (CID 163690232) is (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole.
What is the SMILES notation for (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole?
The canonical SMILES for (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole is CCCCC[C@@H]1[C@H](C)c2ccccc2N1C.
What is the InChIKey of (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole?
The InChIKey is JSJDYSGPYHAJTD-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H23N/c1-4-5-6-10-14-12(2)13-9-7-8-11-15(13)16(14)3/h7-9,11-12,14H,4-6,10H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole?
(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole has a molecular weight of 217.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole is sourced from PubChem (CID 163690232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).