2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile

C14H18N2 — CID 107927022

IUPAC2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile
SMILESCCCN(c1ccc(C)cc1C#N)C1CC1
InChIInChI=1S/C14H18N2/c1-3-8-16(13-5-6-13)14-7-4-11(2)9-12(14)10-15/h4,7,9,13H,3,5-6,8H2,1-2H3
InChIKeySXUNPVRKLJUYML-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.25
Rot. Bonds4

About 2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile

2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile (PubChem CID 107927022) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile
PubChem CID107927022
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile
SMILESCCCN(c1ccc(C)cc1C#N)C1CC1
InChIInChI=1S/C14H18N2/c1-3-8-16(13-5-6-13)14-7-4-11(2)9-12(14)10-15/h4,7,9,13H,3,5-6,8H2,1-2H3
InChIKeySXUNPVRKLJUYML-UHFFFAOYSA-N
XLogP3.25
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-[cyclopropyl(propyl)amino]benzonitrile
CID 61295595
5-chloro-2-[cyclopropyl(propyl)amino]benzonitrile
CID 62494076
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
2-(dipropylamino)-5-methylbenzonitrile
CID 107926828
2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile
CID 107927277
2-[butyl(cyclopropyl)amino]-5-(chloromethyl)benzonitrile
CID 114063553
2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile
CID 114017453
5-bromo-2-[cyclopropyl(3-methylbutyl)amino]benzonitrile
CID 114890575
2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile
CID 102862350
5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
2-[cyclopropyl(ethyl)amino]benzonitrile
CID 43264326
2-[cyclopropyl(propyl)amino]pyridine-3-carbonitrile
CID 43270562

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile?
The IUPAC name of 2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile (CID 107927022) is 2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile is CCCN(c1ccc(C)cc1C#N)C1CC1.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile?
The InChIKey is SXUNPVRKLJUYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-8-16(13-5-6-13)14-7-4-11(2)9-12(14)10-15/h4,7,9,13H,3,5-6,8H2,1-2H3.
What are the key properties of 2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile?
2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile is sourced from PubChem (CID 107927022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).