3-[(1R)-1-(ethylamino)ethyl]benzonitrile

C11H14N2 — CID 93280862

IUPAC3-[(1R)-1-(ethylamino)ethyl]benzonitrile
SMILESCCN[C@H](C)c1cccc(C#N)c1
InChIInChI=1S/C11H14N2/c1-3-13-9(2)11-6-4-5-10(7-11)8-12/h4-7,9,13H,3H2,1-2H3/t9-/m1/s1
InChIKeyOZOPHDSMOZCZOT-SECBINFHSA-N
MW174.25 g/mol
LogP2.23
Rot. Bonds3

About 3-[(1R)-1-(ethylamino)ethyl]benzonitrile

3-[(1R)-1-(ethylamino)ethyl]benzonitrile (PubChem CID 93280862) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-[(1R)-1-(ethylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[(1R)-1-(ethylamino)ethyl]benzonitrile
PubChem CID93280862
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-[(1R)-1-(ethylamino)ethyl]benzonitrile
SMILESCCN[C@H](C)c1cccc(C#N)c1
InChIInChI=1S/C11H14N2/c1-3-13-9(2)11-6-4-5-10(7-11)8-12/h4-7,9,13H,3H2,1-2H3/t9-/m1/s1
InChIKeyOZOPHDSMOZCZOT-SECBINFHSA-N
XLogP2.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
3-[4-[1-(ethylamino)ethyl]phenyl]benzonitrile
CID 54912076
3-[1-[(3-methyl-2-propan-2-ylbutyl)amino]ethyl]benzonitrile
CID 102903956
3-[2-(ethylamino)-1-hydroxypropyl]benzonitrile
CID 115481101
3-[1-(2-methoxyethylamino)ethyl]benzonitrile
CID 43756311
3-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzonitrile
CID 60973082
3-(1-hydrazinylethyl)benzonitrile
CID 63990931
3-[1-(cyclobutylmethylamino)ethyl]benzonitrile
CID 43775260
3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile
CID 103921686
3-[1-(3-methylpentan-2-ylamino)ethyl]benzonitrile
CID 54950155
3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658
3-[1-(1-phenylethylamino)ethyl]benzonitrile
CID 43755971

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(ethylamino)ethyl]benzonitrile?
The IUPAC name of 3-[(1R)-1-(ethylamino)ethyl]benzonitrile (CID 93280862) is 3-[(1R)-1-(ethylamino)ethyl]benzonitrile.
What is the SMILES notation for 3-[(1R)-1-(ethylamino)ethyl]benzonitrile?
The canonical SMILES for 3-[(1R)-1-(ethylamino)ethyl]benzonitrile is CCN[C@H](C)c1cccc(C#N)c1.
What is the InChIKey of 3-[(1R)-1-(ethylamino)ethyl]benzonitrile?
The InChIKey is OZOPHDSMOZCZOT-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-13-9(2)11-6-4-5-10(7-11)8-12/h4-7,9,13H,3H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-(ethylamino)ethyl]benzonitrile?
3-[(1R)-1-(ethylamino)ethyl]benzonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(ethylamino)ethyl]benzonitrile is sourced from PubChem (CID 93280862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).