N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine

C14H17FN2 — CID 117174955

IUPACN-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine
SMILESFc1ccc2[nH]cc(CNC3CCCC3)c2c1
InChIInChI=1S/C14H17FN2/c15-11-5-6-14-13(7-11)10(9-17-14)8-16-12-3-1-2-4-12/h5-7,9,12,16-17H,1-4,8H2
InChIKeyLEQLTQMKKXZQQD-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.34
Rot. Bonds3

About N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine

N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine (PubChem CID 117174955) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine
PubChem CID117174955
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC NameN-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine
SMILESFc1ccc2[nH]cc(CNC3CCCC3)c2c1
InChIInChI=1S/C14H17FN2/c15-11-5-6-14-13(7-11)10(9-17-14)8-16-12-3-1-2-4-12/h5-7,9,12,16-17H,1-4,8H2
InChIKeyLEQLTQMKKXZQQD-UHFFFAOYSA-N
XLogP3.34
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Tetrahydro-beta-carboline
CID 107838
(-)-Agroclavine
CID 73484
Indalpine
CID 44668

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine (CID 117174955) is N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine is Fc1ccc2[nH]cc(CNC3CCCC3)c2c1.
What is the InChIKey of N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine?
The InChIKey is LEQLTQMKKXZQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-11-5-6-14-13(7-11)10(9-17-14)8-16-12-3-1-2-4-12/h5-7,9,12,16-17H,1-4,8H2.
What are the key properties of N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine?
N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine has a molecular weight of 232.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117174955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).