4-[amino(cyclopropyl)methyl]benzonitrile

C11H12N2 — CID 55282712

IUPAC4-[amino(cyclopropyl)methyl]benzonitrile
SMILESN#Cc1ccc(C(N)C2CC2)cc1
InChIInChI=1S/C11H12N2/c12-7-8-1-3-9(4-2-8)11(13)10-5-6-10/h1-4,10-11H,5-6,13H2
InChIKeyJRXWWKGCTHCWJG-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.97
Rot. Bonds2

About 4-[amino(cyclopropyl)methyl]benzonitrile

4-[amino(cyclopropyl)methyl]benzonitrile (PubChem CID 55282712) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-[amino(cyclopropyl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[amino(cyclopropyl)methyl]benzonitrile
PubChem CID55282712
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-[amino(cyclopropyl)methyl]benzonitrile
SMILESN#Cc1ccc(C(N)C2CC2)cc1
InChIInChI=1S/C11H12N2/c12-7-8-1-3-9(4-2-8)11(13)10-5-6-10/h1-4,10-11H,5-6,13H2
InChIKeyJRXWWKGCTHCWJG-UHFFFAOYSA-N
XLogP1.97
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile
CID 163534777
3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile
CID 55263376
4-[cyclohexyl(hydroxy)methyl]benzonitrile
CID 11830850
4-(1-aminoethyl)benzonitrile
CID 11544790
4-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]benzonitrile
CID 63596877
4-(1-amino-2,2-difluoroethyl)benzonitrile
CID 130062082
[4-[(R)-amino(cyclopropyl)methyl]phenyl]methanol
CID 130727327
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[2-(dicyclopropylmethylamino)-1-hydroxyethyl]benzonitrile
CID 61479682
4-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzonitrile;dihydrochloride
CID 171285146
4-[amino-(4-methylphenyl)methyl]cyclohexan-1-ol
CID 116941804

Frequently Asked Questions

What is the IUPAC name of 4-[amino(cyclopropyl)methyl]benzonitrile?
The IUPAC name of 4-[amino(cyclopropyl)methyl]benzonitrile (CID 55282712) is 4-[amino(cyclopropyl)methyl]benzonitrile.
What is the SMILES notation for 4-[amino(cyclopropyl)methyl]benzonitrile?
The canonical SMILES for 4-[amino(cyclopropyl)methyl]benzonitrile is N#Cc1ccc(C(N)C2CC2)cc1.
What is the InChIKey of 4-[amino(cyclopropyl)methyl]benzonitrile?
The InChIKey is JRXWWKGCTHCWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-7-8-1-3-9(4-2-8)11(13)10-5-6-10/h1-4,10-11H,5-6,13H2.
What are the key properties of 4-[amino(cyclopropyl)methyl]benzonitrile?
4-[amino(cyclopropyl)methyl]benzonitrile has a molecular weight of 172.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(cyclopropyl)methyl]benzonitrile is sourced from PubChem (CID 55282712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).