2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile

C14H18N2 — CID 167012631

IUPAC2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile
SMILESCC1(CC(C#N)NCc2ccccc2)CC1
InChIInChI=1S/C14H18N2/c1-14(7-8-14)9-13(10-15)16-11-12-5-3-2-4-6-12/h2-6,13,16H,7-9,11H2,1H3
InChIKeyLUIGYCPMMDMJTG-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.86
Rot. Bonds5

About 2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile

2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile (PubChem CID 167012631) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile.

Molecular Properties

Compound Name2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile
PubChem CID167012631
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile
SMILESCC1(CC(C#N)NCc2ccccc2)CC1
InChIInChI=1S/C14H18N2/c1-14(7-8-14)9-13(10-15)16-11-12-5-3-2-4-6-12/h2-6,13,16H,7-9,11H2,1H3
InChIKeyLUIGYCPMMDMJTG-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile?
The IUPAC name of 2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile (CID 167012631) is 2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile.
What is the SMILES notation for 2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile?
The canonical SMILES for 2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile is CC1(CC(C#N)NCc2ccccc2)CC1.
What is the InChIKey of 2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile?
The InChIKey is LUIGYCPMMDMJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(7-8-14)9-13(10-15)16-11-12-5-3-2-4-6-12/h2-6,13,16H,7-9,11H2,1H3.
What are the key properties of 2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile?
2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile is sourced from PubChem (CID 167012631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).