N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine

C16H21ClN2 — CID 117178828

IUPACN-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
SMILESCCn1cc(CNC2CCCC2)c2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2/c1-2-19-11-12(10-18-14-5-3-4-6-14)15-8-7-13(17)9-16(15)19/h7-9,11,14,18H,2-6,10H2,1H3
InChIKeyYOPQDGQYORVBRS-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.35
Rot. Bonds4

About N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine

N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine (PubChem CID 117178828) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
PubChem CID117178828
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
SMILESCCn1cc(CNC2CCCC2)c2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2/c1-2-19-11-12(10-18-14-5-3-4-6-14)15-8-7-13(17)9-16(15)19/h7-9,11,14,18H,2-6,10H2,1H3
InChIKeyYOPQDGQYORVBRS-UHFFFAOYSA-N
XLogP4.35
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine (CID 117178828) is N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine is CCn1cc(CNC2CCCC2)c2ccc(Cl)cc21.
What is the InChIKey of N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine?
The InChIKey is YOPQDGQYORVBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-2-19-11-12(10-18-14-5-3-4-6-14)15-8-7-13(17)9-16(15)19/h7-9,11,14,18H,2-6,10H2,1H3.
What are the key properties of N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine?
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine has a molecular weight of 276.81 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117178828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).