2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile

C15H18N2 — CID 66397152

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCC1Cc2ccccc21
InChIInChI=1S/C15H18N2/c16-9-12-5-3-7-15(12)17-10-13-8-11-4-1-2-6-14(11)13/h1-2,4,6,12-13,15,17H,3,5,7-8,10H2
InChIKeySGMXAJNPHLBGIU-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.61
Rot. Bonds3

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile

2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile (PubChem CID 66397152) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile
PubChem CID66397152
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCC1Cc2ccccc21
InChIInChI=1S/C15H18N2/c16-9-12-5-3-7-15(12)17-10-13-8-11-4-1-2-6-14(11)13/h1-2,4,6,12-13,15,17H,3,5,7-8,10H2
InChIKeySGMXAJNPHLBGIU-UHFFFAOYSA-N
XLogP2.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 66396568
trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 102733675
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
CID 66418322
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine
CID 64623153
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine
CID 65081954
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile
CID 66419895
2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile
CID 115532068
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772601
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-methylazepan-4-amine
CID 65070385
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64752201

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile (CID 66397152) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile is N#CC1CCCC1NCC1Cc2ccccc21.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile?
The InChIKey is SGMXAJNPHLBGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c16-9-12-5-3-7-15(12)17-10-13-8-11-4-1-2-6-14(11)13/h1-2,4,6,12-13,15,17H,3,5,7-8,10H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile has a molecular weight of 226.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 66397152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).