N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

C15H20N2O — CID 81479001

IUPACN-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESNc1ccc(CCNC(=O)C2C3CCCC32)cc1
InChIInChI=1S/C15H20N2O/c16-11-6-4-10(5-7-11)8-9-17-15(18)14-12-2-1-3-13(12)14/h4-7,12-14H,1-3,8-9,16H2,(H,17,18)
InChIKeyRJQILCDUHNKRHY-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.97
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 81479001) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID81479001
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESNc1ccc(CCNC(=O)C2C3CCCC32)cc1
InChIInChI=1S/C15H20N2O/c16-11-6-4-10(5-7-11)8-9-17-15(18)14-12-2-1-3-13(12)14/h4-7,12-14H,1-3,8-9,16H2,(H,17,18)
InChIKeyRJQILCDUHNKRHY-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
N-[2-(4-aminophenyl)ethyl]-1,1-dioxothiane-2-carboxamide
CID 104517302
N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide
CID 81325244
CID 23389090
CID 23389090
N-[2-(4-aminophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 81478476
N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 75423563
N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 115319625
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-[2-(4-aminophenyl)ethyl]-2-phenyloxane-3-carboxamide;hydrochloride
CID 119548045
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 107487064

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 81479001) is N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is Nc1ccc(CCNC(=O)C2C3CCCC32)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is RJQILCDUHNKRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-11-6-4-10(5-7-11)8-9-17-15(18)14-12-2-1-3-13(12)14/h4-7,12-14H,1-3,8-9,16H2,(H,17,18).
What are the key properties of N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 81479001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).