4-hexyl-4,5,6,7-tetrahydro-2H-indole

C14H23N — CID 140967568

IUPAC4-hexyl-4,5,6,7-tetrahydro-2H-indole
SMILESCCCCCCC1CCCC2=NCC=C21
InChIInChI=1S/C14H23N/c1-2-3-4-5-7-12-8-6-9-14-13(12)10-11-15-14/h10,12H,2-9,11H2,1H3
InChIKeyVVIRJVBRIOEYPF-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.14
Rot. Bonds5

About 4-hexyl-4,5,6,7-tetrahydro-2H-indole

4-hexyl-4,5,6,7-tetrahydro-2H-indole (PubChem CID 140967568) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-hexyl-4,5,6,7-tetrahydro-2H-indole.

Molecular Properties

Compound Name4-hexyl-4,5,6,7-tetrahydro-2H-indole
PubChem CID140967568
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-hexyl-4,5,6,7-tetrahydro-2H-indole
SMILESCCCCCCC1CCCC2=NCC=C21
InChIInChI=1S/C14H23N/c1-2-3-4-5-7-12-8-6-9-14-13(12)10-11-15-14/h10,12H,2-9,11H2,1H3
InChIKeyVVIRJVBRIOEYPF-UHFFFAOYSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.14
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

CID 6445873
CID 6445873
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CID 129066469
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
3-Azatricyclo[5.2.2.02,6]undeca-2,5,8-triene
CID 12134565
3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole
CID 20604071
1,4-di(propan-2-yl)-6H-cyclopenta[c]pyridine
CID 20621283
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-4,5,6,7-tetrahydro-2H-indole?
The IUPAC name of 4-hexyl-4,5,6,7-tetrahydro-2H-indole (CID 140967568) is 4-hexyl-4,5,6,7-tetrahydro-2H-indole.
What is the SMILES notation for 4-hexyl-4,5,6,7-tetrahydro-2H-indole?
The canonical SMILES for 4-hexyl-4,5,6,7-tetrahydro-2H-indole is CCCCCCC1CCCC2=NCC=C21.
What is the InChIKey of 4-hexyl-4,5,6,7-tetrahydro-2H-indole?
The InChIKey is VVIRJVBRIOEYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-2-3-4-5-7-12-8-6-9-14-13(12)10-11-15-14/h10,12H,2-9,11H2,1H3.
What are the key properties of 4-hexyl-4,5,6,7-tetrahydro-2H-indole?
4-hexyl-4,5,6,7-tetrahydro-2H-indole has a molecular weight of 205.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-4,5,6,7-tetrahydro-2H-indole is sourced from PubChem (CID 140967568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).