N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine

C14H17ClN2 — CID 117183494

IUPACN-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine
SMILESClc1cccc2cc(CNC3CCCC3)[nH]c12
InChIInChI=1S/C14H17ClN2/c15-13-7-3-4-10-8-12(17-14(10)13)9-16-11-5-1-2-6-11/h3-4,7-8,11,16-17H,1-2,5-6,9H2
InChIKeyKNKOOSNPBXKTFU-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.85
Rot. Bonds3

About N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine

N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine (PubChem CID 117183494) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine
PubChem CID117183494
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine
SMILESClc1cccc2cc(CNC3CCCC3)[nH]c12
InChIInChI=1S/C14H17ClN2/c15-13-7-3-4-10-8-12(17-14(10)13)9-16-11-5-1-2-6-11/h3-4,7-8,11,16-17H,1-2,5-6,9H2
InChIKeyKNKOOSNPBXKTFU-UHFFFAOYSA-N
XLogP3.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine (CID 117183494) is N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine is Clc1cccc2cc(CNC3CCCC3)[nH]c12.
What is the InChIKey of N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine?
The InChIKey is KNKOOSNPBXKTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-13-7-3-4-10-8-12(17-14(10)13)9-16-11-5-1-2-6-11/h3-4,7-8,11,16-17H,1-2,5-6,9H2.
What are the key properties of N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine?
N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine has a molecular weight of 248.76 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1H-indol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117183494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).