N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine

C14H19N — CID 60815828

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
SMILESc1ccc2c(c1)CC2CNC1CCCC1
InChIInChI=1S/C14H19N/c1-4-8-14-11(5-1)9-12(14)10-15-13-6-2-3-7-13/h1,4-5,8,12-13,15H,2-3,6-7,9-10H2
InChIKeyRDNVODIWQOMUDC-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.86
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine (PubChem CID 60815828) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
PubChem CID60815828
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
SMILESc1ccc2c(c1)CC2CNC1CCCC1
InChIInChI=1S/C14H19N/c1-4-8-14-11(5-1)9-12(14)10-15-13-6-2-3-7-13/h1,4-5,8,12-13,15H,2-3,6-7,9-10H2
InChIKeyRDNVODIWQOMUDC-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine
CID 65081954
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)-1-methylazepan-4-amine
CID 65070385
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)-3,5-dimethylcyclohexan-1-amine
CID 64752201
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopentylethanamine
CID 62633000
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)-1,1-dioxothiolan-3-amine
CID 60816010
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60816945
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 75427921
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
CID 66418322

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine (CID 60815828) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine is c1ccc2c(c1)CC2CNC1CCCC1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine?
The InChIKey is RDNVODIWQOMUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-8-14-11(5-1)9-12(14)10-15-13-6-2-3-7-13/h1,4-5,8,12-13,15H,2-3,6-7,9-10H2.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine has a molecular weight of 201.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine is sourced from PubChem (CID 60815828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).