2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole

C14H23N — CID 167658806

IUPAC2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole
SMILESCC(C)(C)CCC1=NC2=C(CCCC2)C1
InChIInChI=1S/C14H23N/c1-14(2,3)9-8-12-10-11-6-4-5-7-13(11)15-12/h4-10H2,1-3H3
InChIKeyLWBCTFAGIUUEQQ-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.49
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole

2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole (PubChem CID 167658806) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole
PubChem CID167658806
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole
SMILESCC(C)(C)CCC1=NC2=C(CCCC2)C1
InChIInChI=1S/C14H23N/c1-14(2,3)9-8-12-10-11-6-4-5-7-13(11)15-12/h4-10H2,1-3H3
InChIKeyLWBCTFAGIUUEQQ-UHFFFAOYSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole?
The IUPAC name of 2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole (CID 167658806) is 2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole?
The canonical SMILES for 2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole is CC(C)(C)CCC1=NC2=C(CCCC2)C1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole?
The InChIKey is LWBCTFAGIUUEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-14(2,3)9-8-12-10-11-6-4-5-7-13(11)15-12/h4-10H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole?
2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole has a molecular weight of 205.34 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-4,5,6,7-tetrahydro-3H-indole is sourced from PubChem (CID 167658806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).