N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine

C16H22N2 — CID 117185629

IUPACN-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine
SMILESCc1ccc2c(CNC3CCCC3)cn(C)c2c1
InChIInChI=1S/C16H22N2/c1-12-7-8-15-13(11-18(2)16(15)9-12)10-17-14-5-3-4-6-14/h7-9,11,14,17H,3-6,10H2,1-2H3
InChIKeyNJGIOCUHOZEHJC-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.52
Rot. Bonds3

About N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine

N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine (PubChem CID 117185629) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine
PubChem CID117185629
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine
SMILESCc1ccc2c(CNC3CCCC3)cn(C)c2c1
InChIInChI=1S/C16H22N2/c1-12-7-8-15-13(11-18(2)16(15)9-12)10-17-14-5-3-4-6-14/h7-9,11,14,17H,3-6,10H2,1-2H3
InChIKeyNJGIOCUHOZEHJC-UHFFFAOYSA-N
XLogP3.52
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine (CID 117185629) is N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine is Cc1ccc2c(CNC3CCCC3)cn(C)c2c1.
What is the InChIKey of N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine?
The InChIKey is NJGIOCUHOZEHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-7-8-15-13(11-18(2)16(15)9-12)10-17-14-5-3-4-6-14/h7-9,11,14,17H,3-6,10H2,1-2H3.
What are the key properties of N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine?
N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine has a molecular weight of 242.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117185629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).