N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine

C17H23ClN2 — CID 117184020

IUPACN-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
SMILESCC(C)n1c(CNC2CCCC2)cc2cccc(Cl)c21
InChIInChI=1S/C17H23ClN2/c1-12(2)20-15(11-19-14-7-3-4-8-14)10-13-6-5-9-16(18)17(13)20/h5-6,9-10,12,14,19H,3-4,7-8,11H2,1-2H3
InChIKeyODYZEOAZUJIXOB-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.91
Rot. Bonds4

About N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine

N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine (PubChem CID 117184020) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
PubChem CID117184020
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC NameN-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
SMILESCC(C)n1c(CNC2CCCC2)cc2cccc(Cl)c21
InChIInChI=1S/C17H23ClN2/c1-12(2)20-15(11-19-14-7-3-4-8-14)10-13-6-5-9-16(18)17(13)20/h5-6,9-10,12,14,19H,3-4,7-8,11H2,1-2H3
InChIKeyODYZEOAZUJIXOB-UHFFFAOYSA-N
XLogP4.91
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine (CID 117184020) is N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine is CC(C)n1c(CNC2CCCC2)cc2cccc(Cl)c21.
What is the InChIKey of N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine?
The InChIKey is ODYZEOAZUJIXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-12(2)20-15(11-19-14-7-3-4-8-14)10-13-6-5-9-16(18)17(13)20/h5-6,9-10,12,14,19H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine?
N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine has a molecular weight of 290.84 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117184020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).