4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile

C14H18N2O — CID 65161052

IUPAC4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile
SMILESCN(CCC1CCCO1)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-16(9-8-14-3-2-10-17-14)13-6-4-12(11-15)5-7-13/h4-7,14H,2-3,8-10H2,1H3
InChIKeyQQKXMJDYNFZCDH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.56
Rot. Bonds4

About 4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile

4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile (PubChem CID 65161052) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile
PubChem CID65161052
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile
SMILESCN(CCC1CCCO1)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-16(9-8-14-3-2-10-17-14)13-6-4-12(11-15)5-7-13/h4-7,14H,2-3,8-10H2,1H3
InChIKeyQQKXMJDYNFZCDH-UHFFFAOYSA-N
XLogP2.56
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide
CID 99858240
3-[methyl-[3-(oxolan-2-yl)propyl]amino]benzonitrile
CID 65161053
4-[[methyl-[3-(oxolan-2-yl)propyl]amino]methyl]benzonitrile
CID 77079691
4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435563
4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine
CID 65162618
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile
CID 133443913
3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893
4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
CID 65163921

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile?
The IUPAC name of 4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile (CID 65161052) is 4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile.
What is the SMILES notation for 4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile?
The canonical SMILES for 4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile is CN(CCC1CCCO1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile?
The InChIKey is QQKXMJDYNFZCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(9-8-14-3-2-10-17-14)13-6-4-12(11-15)5-7-13/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of 4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile?
4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile is sourced from PubChem (CID 65161052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).