3-octan-2-yl-2,3-dihydro-1H-indole

C16H25N — CID 106820264

IUPAC3-octan-2-yl-2,3-dihydro-1H-indole
SMILESCCCCCCC(C)C1CNc2ccccc21
InChIInChI=1S/C16H25N/c1-3-4-5-6-9-13(2)15-12-17-16-11-8-7-10-14(15)16/h7-8,10-11,13,15,17H,3-6,9,12H2,1-2H3
InChIKeyMMVMAHYUVQKNNW-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.80
Rot. Bonds6

About 3-octan-2-yl-2,3-dihydro-1H-indole

3-octan-2-yl-2,3-dihydro-1H-indole (PubChem CID 106820264) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-octan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-octan-2-yl-2,3-dihydro-1H-indole
PubChem CID106820264
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-octan-2-yl-2,3-dihydro-1H-indole
SMILESCCCCCCC(C)C1CNc2ccccc21
InChIInChI=1S/C16H25N/c1-3-4-5-6-9-13(2)15-12-17-16-11-8-7-10-14(15)16/h7-8,10-11,13,15,17H,3-6,9,12H2,1-2H3
InChIKeyMMVMAHYUVQKNNW-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.80
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-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole
CID 106820137
N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine
CID 80566537
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine
CID 80567043
4-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline
CID 106781291
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine
CID 106902070
pentyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80566075
octan-2-yl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902768

Frequently Asked Questions

What is the IUPAC name of 3-octan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 3-octan-2-yl-2,3-dihydro-1H-indole (CID 106820264) is 3-octan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-octan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 3-octan-2-yl-2,3-dihydro-1H-indole is CCCCCCC(C)C1CNc2ccccc21.
What is the InChIKey of 3-octan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is MMVMAHYUVQKNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-4-5-6-9-13(2)15-12-17-16-11-8-7-10-14(15)16/h7-8,10-11,13,15,17H,3-6,9,12H2,1-2H3.
What are the key properties of 3-octan-2-yl-2,3-dihydro-1H-indole?
3-octan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 231.38 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106820264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).