2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile

C14H18N2 — CID 103851701

IUPAC2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCC1(C)CC1CNCc1ccccc1C#N
InChIInChI=1S/C14H18N2/c1-14(2)7-13(14)10-16-9-12-6-4-3-5-11(12)8-15/h3-6,13,16H,7,9-10H2,1-2H3
InChIKeyQRJUUMCSSDPIAE-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.69
Rot. Bonds4

About 2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile

2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile (PubChem CID 103851701) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile
PubChem CID103851701
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCC1(C)CC1CNCc1ccccc1C#N
InChIInChI=1S/C14H18N2/c1-14(2)7-13(14)10-16-9-12-6-4-3-5-11(12)8-15/h3-6,13,16H,7,9-10H2,1-2H3
InChIKeyQRJUUMCSSDPIAE-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile?
The IUPAC name of 2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile (CID 103851701) is 2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile is CC1(C)CC1CNCc1ccccc1C#N.
What is the InChIKey of 2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile?
The InChIKey is QRJUUMCSSDPIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2)7-13(14)10-16-9-12-6-4-3-5-11(12)8-15/h3-6,13,16H,7,9-10H2,1-2H3.
What are the key properties of 2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile?
2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 103851701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).