4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile

C14H18N2 — CID 63957000

IUPAC4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
SMILESCCN(Cc1ccc(C#N)cc1)CC1CC1
InChIInChI=1S/C14H18N2/c1-2-16(11-14-7-8-14)10-13-5-3-12(9-15)4-6-13/h3-6,14H,2,7-8,10-11H2,1H3
InChIKeyVHTZBSDZVCUGOT-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.79
Rot. Bonds5

About 4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile

4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile (PubChem CID 63957000) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
PubChem CID63957000
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
SMILESCCN(Cc1ccc(C#N)cc1)CC1CC1
InChIInChI=1S/C14H18N2/c1-2-16(11-14-7-8-14)10-13-5-3-12(9-15)4-6-13/h3-6,14H,2,7-8,10-11H2,1H3
InChIKeyVHTZBSDZVCUGOT-UHFFFAOYSA-N
XLogP2.79
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropylmethyl(ethyl)amino]methyl]-3-fluorobenzonitrile
CID 63956998
4-[3-[cyclopropylmethyl(ethyl)amino]propoxy]benzonitrile
CID 63956799
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
CID 65343933
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-fluorobenzonitrile
CID 114012369
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347778
4-[[ethyl(methyl)amino]methyl]benzonitrile
CID 43247494
4-[4-(diethylaminomethyl)piperidine-1-carbonyl]benzonitrile
CID 51082940
2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 60968945

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile (CID 63957000) is 4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile is CCN(Cc1ccc(C#N)cc1)CC1CC1.
What is the InChIKey of 4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile?
The InChIKey is VHTZBSDZVCUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-16(11-14-7-8-14)10-13-5-3-12(9-15)4-6-13/h3-6,14H,2,7-8,10-11H2,1H3.
What are the key properties of 4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile?
4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 63957000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).