2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile

C14H18N2 — CID 65480751

IUPAC2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile
SMILESCCc1ccc(NCC2(CC#N)CC2)cc1
InChIInChI=1S/C14H18N2/c1-2-12-3-5-13(6-4-12)16-11-14(7-8-14)9-10-15/h3-6,16H,2,7-9,11H2,1H3
InChIKeySZLKKJJKUOECPY-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.35
Rot. Bonds5

About 2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile

2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile (PubChem CID 65480751) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile
PubChem CID65480751
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile
SMILESCCc1ccc(NCC2(CC#N)CC2)cc1
InChIInChI=1S/C14H18N2/c1-2-12-3-5-13(6-4-12)16-11-14(7-8-14)9-10-15/h3-6,16H,2,7-9,11H2,1H3
InChIKeySZLKKJJKUOECPY-UHFFFAOYSA-N
XLogP3.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile
CID 65497530
2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495359
2-[1-[(4-ethylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070600
2-[1-[(3-iodoanilino)methyl]cyclopropyl]acetonitrile
CID 65481732
2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile
CID 65480955
2-[1-[(3-chloro-4-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 83107958
2-[1-[(3,4,5-trifluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65498604
N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide
CID 65479559
2-[1-[(4-bromo-2-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 81292455
2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile
CID 65496250
2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65497124
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline
CID 115244481

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile (CID 65480751) is 2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile is CCc1ccc(NCC2(CC#N)CC2)cc1.
What is the InChIKey of 2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile?
The InChIKey is SZLKKJJKUOECPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-12-3-5-13(6-4-12)16-11-14(7-8-14)9-10-15/h3-6,16H,2,7-9,11H2,1H3.
What are the key properties of 2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65480751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).