N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine

C17H23ClN2 — CID 63879211

IUPACN-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine
SMILESClc1ccc2c(ccn2CCCNC2CCCCC2)c1
InChIInChI=1S/C17H23ClN2/c18-15-7-8-17-14(13-15)9-12-20(17)11-4-10-19-16-5-2-1-3-6-16/h7-9,12-13,16,19H,1-6,10-11H2
InChIKeyWHCXDIZMVODQOD-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.61
Rot. Bonds5

About N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine

N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine (PubChem CID 63879211) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine
PubChem CID63879211
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC NameN-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine
SMILESClc1ccc2c(ccn2CCCNC2CCCCC2)c1
InChIInChI=1S/C17H23ClN2/c18-15-7-8-17-14(13-15)9-12-20(17)11-4-10-19-16-5-2-1-3-6-16/h7-9,12-13,16,19H,1-6,10-11H2
InChIKeyWHCXDIZMVODQOD-UHFFFAOYSA-N
XLogP4.61
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine?
The IUPAC name of N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine (CID 63879211) is N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine is Clc1ccc2c(ccn2CCCNC2CCCCC2)c1.
What is the InChIKey of N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine?
The InChIKey is WHCXDIZMVODQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c18-15-7-8-17-14(13-15)9-12-20(17)11-4-10-19-16-5-2-1-3-6-16/h7-9,12-13,16,19H,1-6,10-11H2.
What are the key properties of N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine?
N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine has a molecular weight of 290.84 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine is sourced from PubChem (CID 63879211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).