2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile

C15H20N2 — CID 114017957

IUPAC2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile
SMILESC[C@@H](NCc1ccccc1C#N)C1CCCC1
InChIInChI=1S/C15H20N2/c1-12(13-6-2-3-7-13)17-11-15-9-5-4-8-14(15)10-16/h4-5,8-9,12-13,17H,2-3,6-7,11H2,1H3/t12-/m1/s1
InChIKeyXLJGKVHHOJZMOL-GFCCVEGCSA-N
MW228.34 g/mol
LogP3.23
Rot. Bonds4

About 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile

2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile (PubChem CID 114017957) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile
PubChem CID114017957
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile
SMILESC[C@@H](NCc1ccccc1C#N)C1CCCC1
InChIInChI=1S/C15H20N2/c1-12(13-6-2-3-7-13)17-11-15-9-5-4-8-14(15)10-16/h4-5,8-9,12-13,17H,2-3,6-7,11H2,1H3/t12-/m1/s1
InChIKeyXLJGKVHHOJZMOL-GFCCVEGCSA-N
XLogP3.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
CID 104579614
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
2-[3-[[(1S)-1-cyclopentylethyl]amino]-2-hydroxypropoxy]benzonitrile
CID 81390213
3-[[[(1R)-1-cyclohexylethyl]amino]methyl]-4-fluorobenzonitrile
CID 81384437
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile?
The IUPAC name of 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile (CID 114017957) is 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile is C[C@@H](NCc1ccccc1C#N)C1CCCC1.
What is the InChIKey of 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile?
The InChIKey is XLJGKVHHOJZMOL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(13-6-2-3-7-13)17-11-15-9-5-4-8-14(15)10-16/h4-5,8-9,12-13,17H,2-3,6-7,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile?
2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile is sourced from PubChem (CID 114017957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).