2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile

C15H17N3 — CID 66407937

IUPAC2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cc(CN)c3ccccc32)CC1
InChIInChI=1S/C15H17N3/c16-8-7-15(5-6-15)11-18-10-12(9-17)13-3-1-2-4-14(13)18/h1-4,10H,5-7,9,11,17H2
InChIKeyXGSMXPRIORCDIO-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.79
Rot. Bonds4

About 2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 66407937) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID66407937
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cc(CN)c3ccccc32)CC1
InChIInChI=1S/C15H17N3/c16-8-7-15(5-6-15)11-18-10-12(9-17)13-3-1-2-4-14(13)18/h1-4,10H,5-7,9,11,17H2
InChIKeyXGSMXPRIORCDIO-UHFFFAOYSA-N
XLogP2.79
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile
CID 65497881
2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile
CID 66410874
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065
2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine
CID 65481750
[1-(2-morpholin-4-ylethyl)indol-3-yl]methanamine
CID 66407723
2-[[3-(aminomethyl)indol-1-yl]methyl]-4-fluorobenzonitrile
CID 107906645
2-[1-[(2-oxoquinolin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65494889
5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
CID 66410117
[1-(3-methylbut-3-enyl)indol-3-yl]methanamine
CID 114477026
[1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine
CID 116790148
2-[1-[(2-methylpyrrol-1-yl)methyl]cyclobutyl]acetonitrile
CID 175933431
2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66407285

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile (CID 66407937) is 2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2cc(CN)c3ccccc32)CC1.
What is the InChIKey of 2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is XGSMXPRIORCDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-8-7-15(5-6-15)11-18-10-12(9-17)13-3-1-2-4-14(13)18/h1-4,10H,5-7,9,11,17H2.
What are the key properties of 2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 239.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(aminomethyl)indol-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 66407937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).