1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole

C17H21N — CID 59004665

IUPAC1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole
SMILESCc1ccc2c(ccn2CC2CC3CC(C3)C2)c1
InChIInChI=1S/C17H21N/c1-12-2-3-17-16(6-12)4-5-18(17)11-15-9-13-7-14(8-13)10-15/h2-6,13-15H,7-11H2,1H3
InChIKeyNIXYUCRASUCKSA-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.39
Rot. Bonds2

About 1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole

1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole (PubChem CID 59004665) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole
PubChem CID59004665
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole
SMILESCc1ccc2c(ccn2CC2CC3CC(C3)C2)c1
InChIInChI=1S/C17H21N/c1-12-2-3-17-16(6-12)4-5-18(17)11-15-9-13-7-14(8-13)10-15/h2-6,13-15H,7-11H2,1H3
InChIKeyNIXYUCRASUCKSA-UHFFFAOYSA-N
XLogP4.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole?
The IUPAC name of 1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole (CID 59004665) is 1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole.
What is the SMILES notation for 1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole?
The canonical SMILES for 1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole is Cc1ccc2c(ccn2CC2CC3CC(C3)C2)c1.
What is the InChIKey of 1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole?
The InChIKey is NIXYUCRASUCKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-2-3-17-16(6-12)4-5-18(17)11-15-9-13-7-14(8-13)10-15/h2-6,13-15H,7-11H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole?
1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole has a molecular weight of 239.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole is sourced from PubChem (CID 59004665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).