3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole

C19H26N2 — CID 110453205

IUPAC3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole
SMILESc1ccc2c(C(C3CCCCC3)N3CCCC3)c[nH]c2c1
InChIInChI=1S/C19H26N2/c1-2-8-15(9-3-1)19(21-12-6-7-13-21)17-14-20-18-11-5-4-10-16(17)18/h4-5,10-11,14-15,19-20H,1-3,6-9,12-13H2
InChIKeyHIRJZIPATXQDHM-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.89
Rot. Bonds3

About 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole

3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole (PubChem CID 110453205) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole
PubChem CID110453205
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole
SMILESc1ccc2c(C(C3CCCCC3)N3CCCC3)c[nH]c2c1
InChIInChI=1S/C19H26N2/c1-2-8-15(9-3-1)19(21-12-6-7-13-21)17-14-20-18-11-5-4-10-16(17)18/h4-5,10-11,14-15,19-20H,1-3,6-9,12-13H2
InChIKeyHIRJZIPATXQDHM-UHFFFAOYSA-N
XLogP4.89
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171285009
3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole
CID 110453549
3-(1-cyclohexylpropyl)-1H-indole
CID 174511167
5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171290946
3-(1-cyclohexyl-2-nitroethyl)-1H-indole
CID 102184741
1-[carboxy(1H-indol-3-yl)methyl]piperidine-3-carboxylic acid
CID 42649452
4-[1H-indol-3-yl(piperidin-1-yl)methyl]-N,N-dimethylaniline
CID 110453280
3-[(R)-pyridin-2-yl(pyrrolidin-1-yl)methyl]-1H-indole
CID 710739
3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole
CID 102365176
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole
CID 171278741
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278742
1H-indol-3-yl(oxan-3-yl)methanamine
CID 112742639

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole (CID 110453205) is 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole is c1ccc2c(C(C3CCCCC3)N3CCCC3)c[nH]c2c1.
What is the InChIKey of 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole?
The InChIKey is HIRJZIPATXQDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-8-15(9-3-1)19(21-12-6-7-13-21)17-14-20-18-11-5-4-10-16(17)18/h4-5,10-11,14-15,19-20H,1-3,6-9,12-13H2.
What are the key properties of 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole?
3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole has a molecular weight of 282.43 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(pyrrolidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 110453205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).