N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C16H22N2O — CID 79121868

IUPACN-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCN(C(=O)C1Cc2ccccc21)C1CCC(N)CC1
InChIInChI=1S/C16H22N2O/c1-18(13-8-6-12(17)7-9-13)16(19)15-10-11-4-2-3-5-14(11)15/h2-5,12-13,15H,6-10,17H2,1H3
InChIKeyKURYRMXRNRKQJZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.05
Rot. Bonds2

About N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 79121868) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID79121868
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCN(C(=O)C1Cc2ccccc21)C1CCC(N)CC1
InChIInChI=1S/C16H22N2O/c1-18(13-8-6-12(17)7-9-13)16(19)15-10-11-4-2-3-5-14(11)15/h2-5,12-13,15H,6-10,17H2,1H3
InChIKeyKURYRMXRNRKQJZ-UHFFFAOYSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[4-(methylamino)cyclohexyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 79123084
N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395366
tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate
CID 84584797
N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 102634428
N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260376
N-(4-aminocyclohexyl)-7-methoxy-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
CID 154577939
N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396917
N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 102874151
N-methyl-N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43602044
N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride
CID 170897051
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 167441327
N-(2-amino-2-hydroxyiminoethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136038

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 79121868) is N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CN(C(=O)C1Cc2ccccc21)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is KURYRMXRNRKQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18(13-8-6-12(17)7-9-13)16(19)15-10-11-4-2-3-5-14(11)15/h2-5,12-13,15H,6-10,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 79121868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).