3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole

C16H25N — CID 106820137

IUPAC3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole
SMILESCCCCCC(C)C1CNc2ccc(C)cc21
InChIInChI=1S/C16H25N/c1-4-5-6-7-13(3)15-11-17-16-9-8-12(2)10-14(15)16/h8-10,13,15,17H,4-7,11H2,1-3H3
InChIKeyTXXQLIQOIGPMHC-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.72
Rot. Bonds5

About 3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole

3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole (PubChem CID 106820137) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole
PubChem CID106820137
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole
SMILESCCCCCC(C)C1CNc2ccc(C)cc21
InChIInChI=1S/C16H25N/c1-4-5-6-7-13(3)15-11-17-16-9-8-12(2)10-14(15)16/h8-10,13,15,17H,4-7,11H2,1-3H3
InChIKeyTXXQLIQOIGPMHC-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole
CID 106820144
3-octan-2-yl-2,3-dihydro-1H-indole
CID 106820264
2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860329
3-butyl-5-methyl-2,3-dihydro-1H-indole
CID 106820126
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986061
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
CID 106985857
5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
CID 106820145
N-methyl-1-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 117201839
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860328
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene
CID 158260955

Frequently Asked Questions

What is the IUPAC name of 3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole (CID 106820137) is 3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole is CCCCCC(C)C1CNc2ccc(C)cc21.
What is the InChIKey of 3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole?
The InChIKey is TXXQLIQOIGPMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-5-6-7-13(3)15-11-17-16-9-8-12(2)10-14(15)16/h8-10,13,15,17H,4-7,11H2,1-3H3.
What are the key properties of 3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole?
3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole has a molecular weight of 231.38 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106820137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).