4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile

C14H18N2 — CID 63864723

IUPAC4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile
SMILESCc1ccc(C#N)c(N(C)CC2CC2C)c1
InChIInChI=1S/C14H18N2/c1-10-4-5-12(8-15)14(6-10)16(3)9-13-7-11(13)2/h4-6,11,13H,7,9H2,1-3H3
InChIKeyXOLXVGUNIAOAHR-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.96
Rot. Bonds3

About 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile

4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile (PubChem CID 63864723) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile.

Molecular Properties

Compound Name4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile
PubChem CID63864723
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile
SMILESCc1ccc(C#N)c(N(C)CC2CC2C)c1
InChIInChI=1S/C14H18N2/c1-10-4-5-12(8-15)14(6-10)16(3)9-13-7-11(13)2/h4-6,11,13H,7,9H2,1-3H3
InChIKeyXOLXVGUNIAOAHR-UHFFFAOYSA-N
XLogP2.96
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile?
The IUPAC name of 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile (CID 63864723) is 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile.
What is the SMILES notation for 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile?
The canonical SMILES for 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile is Cc1ccc(C#N)c(N(C)CC2CC2C)c1.
What is the InChIKey of 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile?
The InChIKey is XOLXVGUNIAOAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-4-5-12(8-15)14(6-10)16(3)9-13-7-11(13)2/h4-6,11,13H,7,9H2,1-3H3.
What are the key properties of 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile?
4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile is sourced from PubChem (CID 63864723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).