3-[1-(cyclobutylmethylamino)ethyl]benzonitrile

C14H18N2 — CID 43775260

IUPAC3-[1-(cyclobutylmethylamino)ethyl]benzonitrile
SMILESCC(NCC1CCC1)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2/c1-11(16-10-12-4-2-5-12)14-7-3-6-13(8-14)9-15/h3,6-8,11-12,16H,2,4-5,10H2,1H3
InChIKeyWWTDILXLMWBZPD-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.01
Rot. Bonds4

About 3-[1-(cyclobutylmethylamino)ethyl]benzonitrile

3-[1-(cyclobutylmethylamino)ethyl]benzonitrile (PubChem CID 43775260) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-(cyclobutylmethylamino)ethyl]benzonitrile
PubChem CID43775260
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-[1-(cyclobutylmethylamino)ethyl]benzonitrile
SMILESCC(NCC1CCC1)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2/c1-11(16-10-12-4-2-5-12)14-7-3-6-13(8-14)9-15/h3,6-8,11-12,16H,2,4-5,10H2,1H3
InChIKeyWWTDILXLMWBZPD-UHFFFAOYSA-N
XLogP3.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658
3-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzonitrile
CID 60973082
3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile
CID 54931681
3-[1-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]benzonitrile
CID 61207369
3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
3-[1-(1,4-dioxan-2-ylmethylamino)ethyl]benzonitrile
CID 54907263
3-[1-(2-methoxyethylamino)ethyl]benzonitrile
CID 43756311
3-[1-[(4-ethylcyclohexyl)amino]ethyl]benzonitrile
CID 61466987
3-(1-hydrazinylethyl)benzonitrile
CID 63990931

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethylamino)ethyl]benzonitrile?
The IUPAC name of 3-[1-(cyclobutylmethylamino)ethyl]benzonitrile (CID 43775260) is 3-[1-(cyclobutylmethylamino)ethyl]benzonitrile.
What is the SMILES notation for 3-[1-(cyclobutylmethylamino)ethyl]benzonitrile?
The canonical SMILES for 3-[1-(cyclobutylmethylamino)ethyl]benzonitrile is CC(NCC1CCC1)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-(cyclobutylmethylamino)ethyl]benzonitrile?
The InChIKey is WWTDILXLMWBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(16-10-12-4-2-5-12)14-7-3-6-13(8-14)9-15/h3,6-8,11-12,16H,2,4-5,10H2,1H3.
What are the key properties of 3-[1-(cyclobutylmethylamino)ethyl]benzonitrile?
3-[1-(cyclobutylmethylamino)ethyl]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethylamino)ethyl]benzonitrile is sourced from PubChem (CID 43775260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).