N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine

C15H18N2 — CID 167072734

IUPACN-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine
SMILESc1ccc2c(CCNC34CC(C3)C4)c[nH]c2c1
InChIInChI=1S/C15H18N2/c1-2-4-14-13(3-1)12(10-16-14)5-6-17-15-7-11(8-15)9-15/h1-4,10-11,16-17H,5-9H2
InChIKeyGVCFKSLWIKQZSM-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.85
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine

N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine (PubChem CID 167072734) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine
PubChem CID167072734
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine
SMILESc1ccc2c(CCNC34CC(C3)C4)c[nH]c2c1
InChIInChI=1S/C15H18N2/c1-2-4-14-13(3-1)12(10-16-14)5-6-17-15-7-11(8-15)9-15/h1-4,10-11,16-17H,5-9H2
InChIKeyGVCFKSLWIKQZSM-UHFFFAOYSA-N
XLogP2.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine
CID 138608964
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
[2-(1H-indol-3-yl)ethylamino] acetate
CID 19864349
2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride
CID 158104456
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 172894557
(5S,7S)-3-acetamido-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide
CID 98215067
(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 11904832
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302824
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine (CID 167072734) is N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine is c1ccc2c(CCNC34CC(C3)C4)c[nH]c2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine?
The InChIKey is GVCFKSLWIKQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-4-14-13(3-1)12(10-16-14)5-6-17-15-7-11(8-15)9-15/h1-4,10-11,16-17H,5-9H2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine?
N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 167072734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).